# serial: JuKKR_v3.1-1688-gd73dc5b_intel_20200325193419
  ###    using           48  processors
25.03.2020 19:34:19:  >>>>>>>>>>>>>>>>>>>>> read_config >>>>>>>>>>>>>>>>>>>>>
 Use default POT_NS_CUTOFF=   4.000000000000000E-003
 ########################################
 #######  Config Parameter   ############
 ########################################
 ICST     =            2
 INS      =            1
 KVREL    =            1
 NSRA     =            2
 NSPIN    =            2
 IMIX      =            0
MIXFAC   =             0.020
FCM      =             2.000
QBOUND   =              0.400E-01
 SCFSTEPS =           120
 ########################################
  TESTFLAG=         
 ########################################
tmatnew             
 ########################################
  RUNFLAGS         
 ########################################
LLYsimple            
 ########################################
25.03.2020 19:34:19:  <<<<<<<<<<<<<<<<<<< end read_config <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:19:  >>>>>>>>>>>>>>>>>>>>> set_gaunt_harmonics >>>>>>>>>>>>>>>>>>>>>
 ------------------------------------------------------
 ------- MODULE: GAUNTHAROMICS           --------------
 ------------------------------------------------------
  min. LMAX VALUE =            2
  max. LMAX VALUE =            4
  creating GAUNTCOEFF in this range
25.03.2020 19:34:19:  <<<<<<<<<<<<<<<<<<< end set_gaunt_harmonics <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:19:  >>>>>>>>>>>>>>>>>>>>> PRECONDITIONING_start >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:34:19:  >>>>>>>>>>>> preconditioning read_atominfo >>>>>>>>>>>>>>>>>>>>>
 
 -------------------------------------------
 -----      read atominfo               ----
 -------------------------------------------
 NATOM is              24
 NTOTATOM is           24
 LMAXD is               3
 -------------------------------------------
  No.   x        y      z            Z    VATOM?  KILLATOM?  LMAX
 -------------------------------------------
   1  0.00      0.00      0.00      77.0             0         0         3
   2-0.339E-08-0.243    -0.505E-01  0.00             0         0         3
   3-0.210     0.121    -0.505E-01  0.00             0         0         3
   4 0.210     0.121    -0.505E-01  0.00             0         0         3
   5 0.339E-08 0.243     0.133      0.00             0         0         3
   6 0.210    -0.121     0.133      0.00             0         0         3
   7-0.210    -0.121     0.133      0.00             0         0         3
   8  0.00      0.00    -0.284      0.00             0         0         3
   9 0.339E-08 0.243    -0.167      51.0             0         0         3
  10 0.210    -0.121    -0.167      51.0             0         0         3
  11-0.210    -0.121    -0.167      51.0             0         0         3
  12  0.00      0.00     0.316      0.00             0         0         3
  13-0.339E-08-0.243     0.266      52.0             0         0         3
  14-0.210     0.121     0.266      52.0             0         0         3
  15 0.210     0.121     0.266      52.0             0         0         3
  16-0.210     0.364      0.00      52.0             0         0         3
  17 0.210    -0.364      0.00      52.0             0         0         3
  18-0.210    -0.364      0.00      52.0             0         0         3
  19 0.210     0.364      0.00      52.0             0         0         3
  20 0.420      0.00      0.00      52.0             0         0         3
  21-0.420      0.00      0.00      52.0             0         0         3
  22-0.339E-08-0.243    -0.367      52.0             0         0         3
  23-0.210     0.121    -0.367      52.0             0         0         3
  24 0.210     0.121    -0.367      52.0             0         0         3
 -------------------------------------------
25.03.2020 19:34:19:  <<<<<<<<<<<< preconditioning end read_atominfo <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:19:  >>>>>>>>>>>>>>>>>>>>> preconditioning_readtmatinfo >>>>>>>>>>>>>>>>>>>>>
 [preconditioning_readtmatinfo] Information from the T-matrix file
 [preconditioning_readtmatinfo] NTOTATOMIMP          24
 [preconditioning_readtmatinfo] NSPIN           2
 [preconditioning_readtmatinfo] IELAST          60
 [preconditioning_readtmatinfo] lmsizehost          32
 [preconditioning_readtmatinfo] KGREFSOC           1
25.03.2020 19:34:19:  <<<<<<<<<<<<<<<<<<< end preconditioning_readtmatinfo <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:19:  >>>>>>>>>>>>>>>>>>>>> preconditioning_readtmatinfo >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:34:20:  <<<<<<<<<<<<<<<<<<< end preconditioning_readtmatinfo <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:20:  >>>>>>>>>>>>>>>>>>>>> preconditioning_readenergy >>>>>>>>>>>>>>>>>>>>>
 [read_energy] number of energy points           60
 [read_energy] number of spins            2
 [read_energy] number of host atoms           24
 [read_energy] maximum number of host atoms           24
 [read_energy] host lmsizehost          32
 [read_energy] Spin orbit coupling used? (1=yes,0=no)           1
 [read_energy] energies and weights are:
 [read_energy]   energie           weights
 [read_energy]  real   imag      real    imag
 --------------------------------------------
         1        -1.20000000000000         0.00335284902074          0.00000000000000        -0.00543079240051
         2        -1.20000000000000         0.01702832308807          0.00000000000000        -0.01173126085156
         3        -1.20000000000000         0.03914383539907          0.00000000000000        -0.01601452120601
         4        -1.20000000000000         0.06588153827208          0.00000000000000        -0.01752983087982
         5        -1.20000000000000         0.09261924114509          0.00000000000000        -0.01601452120601
         6        -1.20000000000000         0.11473475345609          0.00000000000000        -0.01173126085156
         7        -1.20000000000000         0.12841022752343          0.00000000000000        -0.00543079240051
         8        -1.19840975063865         0.13176307654417         -0.00259734134861         0.00000000000000
         9        -1.19163157564117         0.13176307654417         -0.00603095716276         0.00000000000000
        10        -1.17947991302455         0.13176307654417         -0.00943341737163         0.00000000000000
        11        -1.16202512618396         0.13176307654417         -0.01277958919299         0.00000000000000
        12        -1.13937185640427         0.13176307654417         -0.01604899275233         0.00000000000000
        13        -1.11165626308800         0.13176307654417         -0.01922190276020         0.00000000000000
        14        -1.07904500428299         0.13176307654417         -0.02227922028966         0.00000000000000
        15        -1.04173419692732         0.13176307654417         -0.02520255258601         0.00000000000000
        16        -0.99994822740285         0.13176307654417         -0.02797431608772         0.00000000000000
        17        -0.95393839872261         0.13176307654417         -0.03057784003411         0.00000000000000
        18        -0.90398141786719         0.13176307654417         -0.03299746600023         0.00000000000000
        19        -0.85037773106742         0.13176307654417         -0.03521864178739         0.00000000000000
        20        -0.79344971661226         0.13176307654417         -0.03722800882107         0.00000000000000
        21        -0.73353974588682         0.13176307654417         -0.03901348243438         0.00000000000000
        22        -0.67100812423326         0.13176307654417         -0.04056432451847         0.00000000000000
        23        -0.60623092398733         0.13176307654417         -0.04187120808784         0.00000000000000
        24        -0.53959772270819         0.13176307654417         -0.04292627336563         0.00000000000000
        25        -0.47150926019601         0.13176307654417         -0.04372317504855         0.00000000000000
        26        -0.40237502838435         0.13176307654417         -0.04425712046543         0.00000000000000
        27        -0.33261080859961         0.13176307654417         -0.04452489839936         0.00000000000000
        28        -0.26263617099723         0.13176307654417         -0.04452489839936         0.00000000000000
        29        -0.19287195121249         0.13176307654417         -0.04425712046543         0.00000000000000
        30        -0.12373771940083         0.13176307654417         -0.04372317504855         0.00000000000000
        31        -0.05564925688865         0.13176307654417         -0.04292627336563         0.00000000000000
        32         0.01098394439049         0.13176307654417         -0.04187120808784         0.00000000000000
        33         0.07576114463642         0.13176307654417         -0.04056432451847         0.00000000000000
        34         0.13829276628998         0.13176307654417         -0.03901348243438         0.00000000000000
        35         0.19820273701542         0.13176307654417         -0.03722800882107         0.00000000000000
        36         0.25513075147058         0.13176307654417         -0.03521864178739         0.00000000000000
        37         0.30873443827035         0.13176307654417         -0.03299746600023         0.00000000000000
        38         0.35869141912577         0.13176307654417         -0.03057784003411         0.00000000000000
        39         0.40470124780601         0.13176307654417         -0.02797431608772         0.00000000000000
        40         0.44648721733048         0.13176307654417         -0.02520255258601         0.00000000000000
        41         0.48379802468615         0.13176307654417         -0.02227922028966         0.00000000000000
        42         0.51640928349116         0.13176307654417         -0.01922190276020         0.00000000000000
        43         0.54412487680743         0.13176307654417         -0.01604899275233         0.00000000000000
        44         0.56677814658712         0.13176307654417         -0.01277958919299         0.00000000000000
        45         0.58423293342771         0.13176307654417         -0.00943341737163         0.00000000000000
        46         0.59638459604433         0.13176307654417         -0.00603095716276         0.00000000000000
        47         0.60316277104181         0.13176307654417         -0.00259734134861         0.00000000000000
        48         0.60816380699062         0.13176307654417         -0.00550810336210         0.00000000000000
        49         0.62185487731894         0.13176307654417         -0.01158405847408         0.00000000000000
        50         0.64313521095918         0.13176307654417         -0.01496810700559         0.00000000000000
        51         0.66698652423585         0.13176307654417         -0.01475140799474         0.00000000000000
        52         0.68724679264854         0.13176307654417         -0.00954533962233         0.00000000000000
        53         0.70215449359873         0.13176307654417         -0.00085894443749         0.00000000000000
        54         0.69462764161316         0.12235142821958          0.00000000000000         0.01198328282800
        55         0.69462764161316         0.10352813157042          0.00000000000000         0.01198328282800
        56         0.69462764161316         0.08470483492125          0.00000000000000         0.01198328282800
        57         0.69462764161316         0.06588153827208          0.00000000000000         0.01198328282800
        58         0.69462764161316         0.04705824162292          0.00000000000000         0.01198328282800
        59         0.69462764161316         0.02823494497375          0.00000000000000         0.01198328282800
        60         0.69462764161316         0.00941164832458          0.00000000000000         0.01198328282800
25.03.2020 19:34:20:  <<<<<<<<<<<<<<<<<< < end preconditioning_readenergy <<<<<<<<<<<<<<<<<<<
 Number of lm-components for the ghost matrix:         768
25.03.2020 19:34:20:  **********************************************************
25.03.2020 19:34:20:  preconditioning dyson steps
25.03.2020 19:34:20:  **********************************************************
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 proc =            0  IE =            1  ispin=            1
 proc =            0  IE =            1 ispin=            1 done...
 proc =            0  IE =            2  ispin=            1
 proc =            0  IE =            2 ispin=            1 done...
25.03.2020 19:34:26:  **********************************************************
25.03.2020 19:34:26:   starting intercell preparation..
25.03.2020 19:34:26:  **********************************************************
25.03.2020 19:34:26:  call preconditioning_readcmoms
25.03.2020 19:34:26:  call preconditioning_readintercell
25.03.2020 19:34:26:  substracting bulk cmoms
Gaunt coefs for VINTERS :  3983
25.03.2020 19:34:26:  substracting bulk cmoms done
25.03.2020 19:34:26:  **********************************************************
25.03.2020 19:34:26:  done preconditioning
25.03.2020 19:34:26:  **********************************************************
25.03.2020 19:34:26:  <<<<<<<<<<<<<<<<<<< end PRECONDITIONING_start <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:26:  >>>>>>>>>>>>>>>>>>>>> NEWWEIGHTS >>>>>>>>>>>>>>>>>>>>>
IE:     1 new weight:     0.00000000000000   -0.00540027564298; llyfac=    0.99438079100000    0.00000000000000
IE:     2 new weight:     0.00000000000000   -0.01166534044501; llyfac=    0.99438079100000    0.00000000000000
IE:     3 new weight:     0.00000000000000   -0.01592453226432; llyfac=    0.99438079100000    0.00000000000000
IE:     4 new weight:     0.00000000000000   -0.01743132709637; llyfac=    0.99438079100000    0.00000000000000
IE:     5 new weight:     0.00000000000000   -0.01592453226432; llyfac=    0.99438079100000    0.00000000000000
IE:     6 new weight:     0.00000000000000   -0.01166534044501; llyfac=    0.99438079100000    0.00000000000000
IE:     7 new weight:     0.00000000000000   -0.00540027564298; llyfac=    0.99438079100000    0.00000000000000
IE:     8 new weight:    -0.00258274634473    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:     9 new weight:    -0.00599706795400    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    10 new weight:    -0.00938040902784    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    11 new weight:    -0.01270777801038    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    12 new weight:    -0.01595881010781    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    13 new weight:    -0.01911389087121    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    14 new weight:    -0.02215402869450    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    15 new weight:    -0.02506093417570    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    16 new weight:    -0.02781712255899    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    17 new weight:    -0.03040601676019    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    18 new weight:    -0.03281204634230    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    19 new weight:    -0.03502074087849    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    20 new weight:    -0.03701881685885    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    21 new weight:    -0.03879425752276    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    22 new weight:    -0.04033638510106    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    23 new weight:    -0.04163592501851    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    24 new weight:    -0.04268506166400    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    25 new weight:    -0.04347748538980    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    26 new weight:    -0.04400843045580    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    27 new weight:    -0.04427470368955    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    28 new weight:    -0.04427470368955    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    29 new weight:    -0.04400843045580    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    30 new weight:    -0.04347748538980    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    31 new weight:    -0.04268506166400    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    32 new weight:    -0.04163592501851    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    33 new weight:    -0.04033638510106    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    34 new weight:    -0.03879425752276    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    35 new weight:    -0.03701881685885    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    36 new weight:    -0.03502074087849    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    37 new weight:    -0.03281204634230    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    38 new weight:    -0.03040601676019    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    39 new weight:    -0.02781712255899    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    40 new weight:    -0.02506093417570    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    41 new weight:    -0.02215402869450    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    42 new weight:    -0.01911389087121    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    43 new weight:    -0.01595881010781    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    44 new weight:    -0.01270777801038    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    45 new weight:    -0.00938040902784    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    46 new weight:    -0.00599706795400    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    47 new weight:    -0.00258274634473    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    48 new weight:    -0.00547715217812    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    49 new weight:    -0.01151896522844    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    50 new weight:    -0.01488399808399    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    51 new weight:    -0.01466851675017    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    52 new weight:    -0.00949170236402    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    53 new weight:    -0.00085411784918    0.00000000000000; llyfac=    0.99438079100000    0.00000000000000
IE:    54 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
IE:    55 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
IE:    56 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
IE:    57 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
IE:    58 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
IE:    59 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
IE:    60 new weight:     0.00000000000000    0.01191594625728; llyfac=    0.99438079100000    0.00000000000000
25.03.2020 19:34:26:  <<<<<<<<<<<<<<<<<<< end NEWWEIGHTS <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:26:  >>>>>>>>>>>>>>>>>>>>> read_atominfo >>>>>>>>>>>>>>>>>>>>>
 
 -------------------------------------------
 -----      read atominfo               ----
 -------------------------------------------
 NATOM is              24
 NTOTATOM is           24
 LMAXD is               3
 -------------------------------------------
  No.   x        y      z            Z    VATOM?  KILLATOM?  LMAX
 -------------------------------------------
   1  0.00      0.00      0.00      77.0             0         0         3
   2-0.339E-08-0.243    -0.505E-01  0.00             0         0         3
   3-0.210     0.121    -0.505E-01  0.00             0         0         3
   4 0.210     0.121    -0.505E-01  0.00             0         0         3
   5 0.339E-08 0.243     0.133      0.00             0         0         3
   6 0.210    -0.121     0.133      0.00             0         0         3
   7-0.210    -0.121     0.133      0.00             0         0         3
   8  0.00      0.00    -0.284      0.00             0         0         3
   9 0.339E-08 0.243    -0.167      51.0             0         0         3
  10 0.210    -0.121    -0.167      51.0             0         0         3
  11-0.210    -0.121    -0.167      51.0             0         0         3
  12  0.00      0.00     0.316      0.00             0         0         3
  13-0.339E-08-0.243     0.266      52.0             0         0         3
  14-0.210     0.121     0.266      52.0             0         0         3
  15 0.210     0.121     0.266      52.0             0         0         3
  16-0.210     0.364      0.00      52.0             0         0         3
  17 0.210    -0.364      0.00      52.0             0         0         3
  18-0.210    -0.364      0.00      52.0             0         0         3
  19 0.210     0.364      0.00      52.0             0         0         3
  20 0.420      0.00      0.00      52.0             0         0         3
  21-0.420      0.00      0.00      52.0             0         0         3
  22-0.339E-08-0.243    -0.367      52.0             0         0         3
  23-0.210     0.121    -0.367      52.0             0         0         3
  24 0.210     0.121    -0.367      52.0             0         0         3
 -------------------------------------------
25.03.2020 19:34:26:  <<<<<<<<<<<<<<<<<<< end read_atominfo <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:26:  >>>>>>>>>>>>>>>>>>>>> set_array_params >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:34:26:  <<<<<<<<<<<<<<<<<<< end set_array_params <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:26:  >>>>>>>>>>>>>>>>>>>>> read_potential >>>>>>>>>>>>>>>>>>>>>
 -------------------------------------------
 -----  POTENTIAL SUBROUTINE            ----
 -------------------------------------------
 natom is           24
 ins is            1
 -------------------------------------------
 
 -------------------------------------------
 -----  pre read shape functions        ----
 -------------------------------------------
NPAND= 19 NRSHAPED=179 NLMSHAPED=35
 
 -------------------------------------------
 -----      shape functions             ----
 -------------------------------------------
          IATOM      NPAN  NRSHAPE    NMESHPAN(1..NPAN) 
       1      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
       2      19     179      -1      10      28      21      11       7       7      13       7       9       7       7       7       7       7       7      10       7       7
       3      19     179      -1      10      28      21      11       7       7      13       7       9       7       7       7       7       7       7      10       7       7
       4      19     179      -1      10      28      21      11       7       7      13       7       9       7       7       7       7       7       7      10       7       7
       5      11     135      -1      10      29       7      18      15       7      13       7      17      12
       6      11     135      -1      10      29       7      18      15       7      13       7      17      12
       7      11     135      -1      10      29       7      18      15       7      13       7      17      12
       8      15     135      -1      10      18      11      10      13      11       7       7       7       9       7       9       7       9
       9      18     147      -1      10      16      10       8      11       7      10       7       7       7       7       9       7       7       7       7      10
      10      18     147      -1      10      16      10       8      11       7      10       7       7       7       7       9       7       7       7       7      10
      11      18     147      -1      10      16      10       8      11       7      10       7       7       7       7       9       7       7       7       7      10
      12      19     179      -1      10      28      21      11       7       7      13       7       9       7       7       7       7       7       7      10       7       7
      13      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      14      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      15      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      16      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      17      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      18      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      19      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      20      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      21      18     161      -1      10      27       9      10      13       7       7       7      10       9       7       7       7      10       7       7       7
      22      11     135      -1      10      49       7       7      13       7      13       7      11      11
      23      11     135      -1      10      49       7       7      13       7      13       7      11      11
      24      11     135      -1      10      49       7       7      13       7      13       7      11      11
 
 -------------------------------------------
 -----      pre read potential          ----
 -------------------------------------------
INS(guess)=1 NCORESTATED=12 NPOT=48 NRMAXD=528
 -------------------------------------------
 According potential file nspin=2 is used
 -------------------------------------------
 -------------------------------------------
 -----  NRCUT                            ----
 -------------------------------------------
 IATOM     NRCUT
    1    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
    2    0  349  359  387  408  419  426  433  446  453  462  469  476  483  490  497  504  514  521  528
    3    0  349  359  387  408  419  426  433  446  453  462  469  476  483  490  497  504  514  521  528
    4    0  349  359  387  408  419  426  433  446  453  462  469  476  483  490  497  504  514  521  528
    5    0  349  359  388  395  413  428  435  448  455  472  484    0    0    0    0    0    0    0    0
    6    0  349  359  388  395  413  428  435  448  455  472  484    0    0    0    0    0    0    0    0
    7    0  349  359  388  395  413  428  435  448  455  472  484    0    0    0    0    0    0    0    0
    8    0  349  359  377  388  398  411  422  429  436  443  452  459  468  475  484    0    0    0    0
    9    0  349  359  375  385  393  404  411  421  428  435  442  449  458  465  472  479  486  496    0
   10    0  349  359  375  385  393  404  411  421  428  435  442  449  458  465  472  479  486  496    0
   11    0  349  359  375  385  393  404  411  421  428  435  442  449  458  465  472  479  486  496    0
   12    0  349  359  387  408  419  426  433  446  453  462  469  476  483  490  497  504  514  521  528
   13    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   14    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   15    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   16    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   17    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   18    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   19    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   20    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   21    0  349  359  386  395  405  418  425  432  439  449  458  465  472  479  489  496  503  510    0
   22    0  349  359  408  415  422  435  442  455  462  473  484    0    0    0    0    0    0    0    0
   23    0  349  359  408  415  422  435  442  455  462  473  484    0    0    0    0    0    0    0    0
   24    0  349  359  408  415  422  435  442  455  462  473  484    0    0    0    0    0    0    0    0
 -------------------------------------------
 -----  Atom stuff                      ----
 -------------------------------------------
 IATOM   RCORE   NRCORE   RMT   RMAX   NRMAX   RMIN_NS   NRMIN_NS
    1   2.336   349   2.336   3.555  510   0.471  285
    2   2.336   349   2.336   3.555  528   0.471  285
    3   2.336   349   2.336   3.555  528   0.471  285
    4   2.336   349   2.336   3.555  528   0.471  285
    5   2.614   349   2.614   3.555  484   0.527  285
    6   2.614   349   2.614   3.555  484   0.527  285
    7   2.614   349   2.614   3.555  484   0.527  285
    8   2.425   349   2.425   3.476  484   0.489  285
    9   2.544   349   2.544   3.476  496   0.513  285
   10   2.544   349   2.544   3.476  496   0.513  285
   11   2.544   349   2.544   3.476  496   0.513  285
   12   2.336   349   2.336   3.555  528   0.471  285
   13   2.336   349   2.336   3.555  510   0.471  285
   14   2.336   349   2.336   3.555  510   0.471  285
   15   2.336   349   2.336   3.555  510   0.471  285
   16   2.336   349   2.336   3.555  510   0.471  285
   17   2.336   349   2.336   3.555  510   0.471  285
   18   2.336   349   2.336   3.555  510   0.471  285
   19   2.336   349   2.336   3.555  510   0.471  285
   20   2.336   349   2.336   3.555  510   0.471  285
   21   2.336   349   2.336   3.555  510   0.471  285
   22   2.425   349   2.425   3.476  484   0.489  285
   23   2.425   349   2.425   3.476  484   0.489  285
   24   2.425   349   2.425   3.476  484   0.489  285
 
 -------------------------------------------
 -----  Parameters for the radial mesh  ----
 -------------------------------------------
                A                       B           
           1  2.500000000000000E-002  3.892759366381043E-004
           2  2.500000000000000E-002  3.892759366381043E-004
           3  2.500000000000000E-002  3.892759366381043E-004
           4  2.500000000000000E-002  3.892759366381043E-004
           5  2.500000000000000E-002  4.354612172558606E-004
           6  2.500000000000000E-002  4.354612172558606E-004
           7  2.500000000000000E-002  4.354612172558606E-004
           8  2.500000000000000E-002  4.041212054077561E-004
           9  2.500000000000000E-002  4.239148971038104E-004
          10  2.500000000000000E-002  4.239148971038104E-004
          11  2.500000000000000E-002  4.239148971038104E-004
          12  2.500000000000000E-002  3.892759366381043E-004
          13  2.500000000000000E-002  3.892759366381043E-004
          14  2.500000000000000E-002  3.892759366381043E-004
          15  2.500000000000000E-002  3.892759366381043E-004
          16  2.500000000000000E-002  3.892759366381043E-004
          17  2.500000000000000E-002  3.892759366381043E-004
          18  2.500000000000000E-002  3.892759366381043E-004
          19  2.500000000000000E-002  3.892759366381043E-004
          20  2.500000000000000E-002  3.892759366381043E-004
          21  2.500000000000000E-002  3.892759366381043E-004
          22  2.500000000000000E-002  4.041212054077561E-004
          23  2.500000000000000E-002  4.041212054077561E-004
          24  2.500000000000000E-002  4.041212054077561E-004
25.03.2020 19:34:27:  <<<<<<<<<<<<<<<<<<< end read_potential <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:27:  >>>>>>>>>>>>>>>>>>>>> gen_gauntshape >>>>>>>>>>>>>>>>>>>>>
 >>> SHAPE : IMAXSH(   455),NGSHD : 52316
 >>> SHAPE : IMAXSH(  2310),NGSHD : 52316
25.03.2020 19:34:27:  <<<<<<<<<<<<<<<<<<< end gen_gauntshape <<<<<<<<<<<<<<<<<<<
25.03.2020 19:34:27:  ***********************************************************
25.03.2020 19:34:27:  **************  starting selfconsistency ******************
25.03.2020 19:34:27:  ***********************************************************
  Iteration Number            1
25.03.2020 19:34:27:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 [gdyson_read_kgrefsoc] kgrefsoc ==           1
 ****************************************
 GHOST dim is         768
 ****************************************
 GMAT matrix dimension
 GMAT dim is         768
 iatom=           1 matrix index           1          32
 iatom=           2 matrix index          33          64
 iatom=           3 matrix index          65          96
 iatom=           4 matrix index          97         128
 iatom=           5 matrix index         129         160
 iatom=           6 matrix index         161         192
 iatom=           7 matrix index         193         224
 iatom=           8 matrix index         225         256
 iatom=           9 matrix index         257         288
 iatom=          10 matrix index         289         320
 iatom=          11 matrix index         321         352
 iatom=          12 matrix index         353         384
 iatom=          13 matrix index         385         416
 iatom=          14 matrix index         417         448
 iatom=          15 matrix index         449         480
 iatom=          16 matrix index         481         512
 iatom=          17 matrix index         513         544
 iatom=          18 matrix index         545         576
 iatom=          19 matrix index         577         608
 iatom=          20 matrix index         609         640
 iatom=          21 matrix index         641         672
 iatom=          22 matrix index         673         704
 iatom=          23 matrix index         705         736
 iatom=          24 matrix index         737         768
 ****************************************
 Initial angles for non-collinear calculation
 iatom  theta                    phi  moment fixed
           1  0.000000000000000E+000  0.000000000000000E+000           1
           2  0.000000000000000E+000  0.000000000000000E+000           1
           3  0.000000000000000E+000  0.000000000000000E+000           1
           4  0.000000000000000E+000  0.000000000000000E+000           1
           5  0.000000000000000E+000  0.000000000000000E+000           1
           6  0.000000000000000E+000  0.000000000000000E+000           1
           7  0.000000000000000E+000  0.000000000000000E+000           1
           8  0.000000000000000E+000  0.000000000000000E+000           1
           9  0.000000000000000E+000  0.000000000000000E+000           1
          10  0.000000000000000E+000  0.000000000000000E+000           1
          11  0.000000000000000E+000  0.000000000000000E+000           1
          12  0.000000000000000E+000  0.000000000000000E+000           1
          13  0.000000000000000E+000  0.000000000000000E+000           1
          14  0.000000000000000E+000  0.000000000000000E+000           1
          15  0.000000000000000E+000  0.000000000000000E+000           1
          16  0.000000000000000E+000  0.000000000000000E+000           1
          17  0.000000000000000E+000  0.000000000000000E+000           1
          18  0.000000000000000E+000  0.000000000000000E+000           1
          19  0.000000000000000E+000  0.000000000000000E+000           1
          20  0.000000000000000E+000  0.000000000000000E+000           1
          21  0.000000000000000E+000  0.000000000000000E+000           1
          22  0.000000000000000E+000  0.000000000000000E+000           1
          23  0.000000000000000E+000  0.000000000000000E+000           1
          24  0.000000000000000E+000  0.000000000000000E+000           1
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [read_spinorbit] no kkrflex_spinorbitperatom exists
 [energyloop] Energy ie=           1
 call CALCTMAT
 #########################################
           Panel division
 #########################################
         panel # |  start n  |     end r   |     panel width 
           0           0  9.854567253253541E-006
           1          13  2.206163439955318E-005  1.220706714629964E-005
           2          26  4.647576869215246E-005  2.441413429259928E-005
           3          39  9.530403727735101E-005  4.882826858519856E-005
           4          52  1.929605744477481E-004  9.765653717039711E-005
           5          65  3.882736487885423E-004  1.953130743407942E-004
           6          78  7.788997974701308E-004  3.906261486815885E-004
           7          91  1.560152094833308E-003  7.812522973631768E-004
           8         104  3.122656689559662E-003  1.562504594726354E-003
           9         117  6.247665879012369E-003  3.125009189452708E-003
          10         130  1.249768425791778E-002  6.250018378905415E-003
          11         143  2.499772101572861E-002  1.250003675781083E-002
          12         156  4.999779453135027E-002  2.500007351562166E-002
          13         169  9.999794156259359E-002  5.000014703124332E-002
          14         182  0.199998235625080       0.100000294062487     
          15         195  0.399998823750054       0.200000588124973     
          16         208  0.471400342161003       7.140151841094955E-002
          17         221  0.800000000000000       0.328599657838997     
          18         234   1.01948571428485       0.219485714284853     
          19         247   1.23897142856971       0.219485714284853     
          20         260   1.45845714285456       0.219485714284853     
          21         273   1.67794285713941       0.219485714284853     
          22         286   1.89742857142426       0.219485714284853     
          23         299   2.11691428570912       0.219485714284853     
          24         312   2.33639999999397       0.219485714284853     
          25         325   2.36815507038675       3.175507039278669E-002
          26         338   2.64412558449322       0.275970514106465     
          27         351   2.70992384443935       6.579825994612998E-002
          28         364   2.81485054563872       0.104926701199370     
          29         377   3.00851287783535       0.193662332196631     
          30         390   3.02536471522065       1.685183738529927E-002
          31         403   3.08109433320651       5.572961798586196E-002
          32         416   3.12272370299349       4.162936978697784E-002
          33         429   3.21027724486865       8.755354187515918E-002
          34         442   3.28384465193728       7.356740706863096E-002
          35         455   3.31559839763135       3.175374569407019E-002
          36         468   3.32635975567767       1.076135804632017E-002
          37         481   3.36204515275281       3.568539707513896E-002
          38         494   3.44095643791629       7.891128516348367E-002
          39         507   3.48207925334858       4.112281543228447E-002
          40         520   3.51474994787758       3.267069452899740E-002
          41         533   3.55501922340466       4.026927552708504E-002
 #########################################
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 Read Gmat bulk header
 NSPINBULK ==           2
 kgrefsoc ==           1
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:37:58:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:37:58:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is  -8.566934193945278E-011 -1.382279649256310E-010
  4.173510602111552E-002
 magnetic moment2 is  -8.566827003486310E-011 -1.382188147189448E-010
  7.285877943005302E-003
 magnetic moment is  -2.683322270977118E-011  6.580993702533737E-005
  1.212483888139015E-002
 magnetic moment2 is  -2.683322270977118E-011  6.580993702533737E-005
  2.090504903995594E-003
 magnetic moment is   5.699304233657371E-005 -3.290500162927608E-005
  1.212483903734263E-002
 magnetic moment2 is   5.699304233657371E-005 -3.290500162927608E-005
  2.090505059948178E-003
 magnetic moment is  -5.699298085772061E-005 -3.290493222831698E-005
  1.212484002299885E-002
 magnetic moment2 is  -5.699298085772061E-005 -3.290493222831698E-005
  2.090506045604290E-003
 magnetic moment is  -8.512117361881080E-012 -2.813717146739570E-004
  9.790403280963811E-003
 magnetic moment2 is  -8.512117361881080E-012 -2.813717146739570E-004
 -9.963820630357750E-004
 magnetic moment is  -2.436750496617268E-004  1.406858451557645E-004
  9.790403531420577E-003
 magnetic moment2 is  -2.436750496617268E-004  1.406858451557645E-004
 -9.963818125792098E-004
 magnetic moment is   2.436750705320883E-004  1.406858607131666E-004
  9.790403895460598E-003
 magnetic moment2 is   2.436750705320883E-004  1.406858607131666E-004
 -9.963814485392172E-004
 magnetic moment is  -3.725158394920167E-011 -4.211541531933467E-011
  8.038659154106065E-003
 magnetic moment2 is  -3.725158394920167E-011 -4.211541531933467E-011
 -2.727286245511079E-003
 magnetic moment is   1.120422495016690E-010 -1.004698254088871E-004
  3.676127576465227E-002
 magnetic moment2 is   1.120422273297346E-010 -1.004698254088880E-004
 -3.059046912520236E-003
 magnetic moment is  -8.700937419583491E-005  5.023497627690477E-005
  3.676127682322883E-002
 magnetic moment2 is  -8.700937419585709E-005  5.023497627690390E-005
 -3.059045853943371E-003
 magnetic moment is   8.700948886866856E-005  5.023496616316718E-005
  3.676128085572428E-002
 magnetic moment2 is   8.700948886864642E-005  5.023496616316626E-005
 -3.059041821448172E-003
 magnetic moment is  -9.759215025049242E-012 -9.638831065384019E-012
  8.055598758698324E-003
 magnetic moment2 is  -9.759215025049242E-012 -9.638831065384019E-012
 -1.978733218793022E-003
 magnetic moment is   2.461011412425952E-011  3.466606839673957E-004
  3.866121028515757E-002
 magnetic moment2 is   2.461021998982540E-011  3.466606839490277E-004
  2.332203082014511E-003
 magnetic moment is   3.002169734321387E-004 -1.733303054288043E-004
  3.866121045879956E-002
 magnetic moment2 is   3.002169734322445E-004 -1.733303054471721E-004
  2.332203255655668E-003
 magnetic moment is  -3.002169767568372E-004 -1.733303306128691E-004
  3.866121102838216E-002
 magnetic moment2 is  -3.002169767567313E-004 -1.733303306312369E-004
  2.332203825239118E-003
 magnetic moment is   2.167386795936222E-005  6.538665382357063E-005
  3.412600931230436E-002
 magnetic moment2 is   2.167386795931147E-005  6.538665382356458E-005
 -2.202997018160832E-003
 magnetic moment is   6.746343201496723E-005 -1.392322185784379E-005
  3.412600937439514E-002
 magnetic moment2 is   6.746343201491646E-005 -1.392322185784982E-005
 -2.202996956069597E-003
 magnetic moment is  -6.746336733707997E-005 -1.392321926197691E-005
  3.412600940381516E-002
 magnetic moment2 is  -6.746336733713069E-005 -1.392321926198293E-005
 -2.202996926649728E-003
 magnetic moment is  -2.167383369458497E-005  6.538659023409900E-005
  3.412600921196862E-002
 magnetic moment2 is  -2.167383369463569E-005  6.538659023409295E-005
 -2.202997118496933E-003
 magnetic moment is   4.578953165660948E-005 -5.146336766995553E-005
  3.412600907227414E-002
 magnetic moment2 is   4.578953165655876E-005 -5.146336766996153E-005
 -2.202997258190259E-003
 magnetic moment is  -4.578953557149273E-005 -5.146335935701217E-005
  3.412600921073805E-002
 magnetic moment2 is  -4.578953557154347E-005 -5.146335935701823E-005
 -2.202997119726505E-003
 magnetic moment is  -1.786868151510410E-012 -5.269714121564950E-005
  3.515204004107186E-002
 magnetic moment2 is  -1.786888017397639E-012 -5.269714121564770E-005
 -3.887494428539501E-003
 magnetic moment is  -4.563707969297003E-005  2.634860389649527E-005
  3.515203981804582E-002
 magnetic moment2 is  -4.563707969298988E-005  2.634860389649705E-005
 -3.887494651565307E-003
 magnetic moment is   4.563712820069471E-005  2.634863222110984E-005
  3.515203920127741E-002
 magnetic moment2 is   4.563712820067483E-005  2.634863222111163E-005
 -3.887495268334068E-003
25.03.2020 19:37:58:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:37:58:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.53676958  0.54240871    0.0056
          p =  0.27645396  0.30060709    0.0242
          d =  4.56435716  4.57776187    0.0134
          f =  0.01198311  0.01220840    0.0002
          ns  -0.02188663 -0.02357378   -0.0017
          ------------------------------------
          TOT  5.36767719  5.40941230    0.0417
                          10.77708948
   ========================== 
      2   s =  0.26808919  0.27343784    0.0053
          p =  0.35138606  0.35712720    0.0057
          d =  0.18671567  0.18946886    0.0028
          f =  0.07144121  0.07255791    0.0011
          ns  -0.14089248 -0.14372732   -0.0028
          ------------------------------------
          TOT  0.73673964  0.74886448    0.0121
                           1.48560412
   ========================== 
      3   s =  0.26808918  0.27343784    0.0053
          p =  0.35138606  0.35712720    0.0057
          d =  0.18671567  0.18946886    0.0028
          f =  0.07144120  0.07255790    0.0011
          ns  -0.14089248 -0.14372732   -0.0028
          ------------------------------------
          TOT  0.73673963  0.74886447    0.0121
                           1.48560411
   ========================== 
      4   s =  0.26808918  0.27343784    0.0053
          p =  0.35138606  0.35712720    0.0057
          d =  0.18671567  0.18946886    0.0028
          f =  0.07144120  0.07255790    0.0011
          ns  -0.14089248 -0.14372732   -0.0028
          ------------------------------------
          TOT  0.73673963  0.74886447    0.0121
                           1.48560410
   ========================== 
      5   s =  0.17852597  0.18238763    0.0039
          p =  0.23313072  0.23697772    0.0038
          d =  0.11915385  0.12112619    0.0020
          f =  0.04094388  0.04166062    0.0007
          ns  -0.02750915 -0.02811648   -0.0006
          ------------------------------------
          TOT  0.54424527  0.55403568    0.0098
                           1.09828095
   ========================== 
      6   s =  0.17852597  0.18238763    0.0039
          p =  0.23313072  0.23697772    0.0038
          d =  0.11915385  0.12112620    0.0020
          f =  0.04094388  0.04166062    0.0007
          ns  -0.02750916 -0.02811648   -0.0006
          ------------------------------------
          TOT  0.54424527  0.55403568    0.0098
                           1.09828095
   ========================== 
      7   s =  0.17852597  0.18238763    0.0039
          p =  0.23313072  0.23697772    0.0038
          d =  0.11915385  0.12112620    0.0020
          f =  0.04094388  0.04166062    0.0007
          ns  -0.02750916 -0.02811648   -0.0006
          ------------------------------------
          TOT  0.54424527  0.55403568    0.0098
                           1.09828095
   ========================== 
      8   s =  0.22570620  0.22874083    0.0030
          p =  0.29889070  0.30174649    0.0029
          d =  0.15482682  0.15675321    0.0019
          f =  0.04580622  0.04697027    0.0012
          ns  -0.04828074 -0.04922295   -0.0009
          ------------------------------------
          TOT  0.67694920  0.68498786    0.0080
                           1.36193705
   ========================== 
      9   s =  0.83559437  0.84112148    0.0055
          p =  0.89221232  0.92186073    0.0296
          d =  0.09165876  0.09308519    0.0014
          f =  0.02158415  0.02182235    0.0002
          ns   0.01086667  0.01078780   -0.0001
          ------------------------------------
          TOT  1.85191627  1.88867754    0.0368
                           3.74059381
   ========================== 
     10   s =  0.83559437  0.84112148    0.0055
          p =  0.89221232  0.92186073    0.0296
          d =  0.09165876  0.09308519    0.0014
          f =  0.02158415  0.02182235    0.0002
          ns   0.01086667  0.01078780   -0.0001
          ------------------------------------
          TOT  1.85191627  1.88867755    0.0368
                           3.74059382
   ========================== 
     11   s =  0.83559437  0.84112148    0.0055
          p =  0.89221233  0.92186075    0.0296
          d =  0.09165876  0.09308519    0.0014
          f =  0.02158415  0.02182235    0.0002
          ns   0.01086667  0.01078780   -0.0001
          ------------------------------------
          TOT  1.85191628  1.88867756    0.0368
                           3.74059384
   ========================== 
     12   s =  0.24752887  0.25085149    0.0033
          p =  0.32591670  0.32946846    0.0036
          d =  0.16900404  0.17127065    0.0023
          f =  0.05536996  0.05650881    0.0011
          ns  -0.11996829 -0.12219253   -0.0022
          ------------------------------------
          TOT  0.67785128  0.68590688    0.0081
                           1.36375815
   ========================== 
     13   s =  0.85411351  0.85690957    0.0028
          p =  1.36573948  1.40147221    0.0357
          d =  0.05114487  0.05146993    0.0003
          f =  0.01205442  0.01209644    0.0000
          ns   0.00349261  0.00325794   -0.0002
          ------------------------------------
          TOT  2.28654489  2.32520610    0.0387
                           4.61175099
   ========================== 
     14   s =  0.85411351  0.85690957    0.0028
          p =  1.36573948  1.40147221    0.0357
          d =  0.05114487  0.05146993    0.0003
          f =  0.01205442  0.01209644    0.0000
          ns   0.00349261  0.00325794   -0.0002
          ------------------------------------
          TOT  2.28654489  2.32520610    0.0387
                           4.61175099
   ========================== 
     15   s =  0.85411351  0.85690957    0.0028
          p =  1.36573948  1.40147221    0.0357
          d =  0.05114487  0.05146993    0.0003
          f =  0.01205442  0.01209644    0.0000
          ns   0.00349261  0.00325794   -0.0002
          ------------------------------------
          TOT  2.28654489  2.32520610    0.0387
                           4.61175100
   ========================== 
     16   s =  0.85487548  0.85768178    0.0028
          p =  1.36968452  1.40060736    0.0309
          d =  0.05171632  0.05218349    0.0005
          f =  0.01221254  0.01233996    0.0001
          ns   0.00322077  0.00302306   -0.0002
          ------------------------------------
          TOT  2.29170964  2.32583565    0.0341
                           4.61754528
   ========================== 
     17   s =  0.85487548  0.85768178    0.0028
          p =  1.36968452  1.40060736    0.0309
          d =  0.05171632  0.05218349    0.0005
          f =  0.01221254  0.01233996    0.0001
          ns   0.00322077  0.00302306   -0.0002
          ------------------------------------
          TOT  2.29170964  2.32583564    0.0341
                           4.61754528
   ========================== 
     18   s =  0.85487548  0.85768178    0.0028
          p =  1.36968452  1.40060736    0.0309
          d =  0.05171632  0.05218349    0.0005
          f =  0.01221254  0.01233996    0.0001
          ns   0.00322077  0.00302306   -0.0002
          ------------------------------------
          TOT  2.29170964  2.32583565    0.0341
                           4.61754528
   ========================== 
     19   s =  0.85487548  0.85768178    0.0028
          p =  1.36968452  1.40060736    0.0309
          d =  0.05171632  0.05218349    0.0005
          f =  0.01221254  0.01233996    0.0001
          ns   0.00322077  0.00302306   -0.0002
          ------------------------------------
          TOT  2.29170964  2.32583565    0.0341
                           4.61754529
   ========================== 
     20   s =  0.85487548  0.85768178    0.0028
          p =  1.36968453  1.40060736    0.0309
          d =  0.05171632  0.05218349    0.0005
          f =  0.01221254  0.01233996    0.0001
          ns   0.00322077  0.00302306   -0.0002
          ------------------------------------
          TOT  2.29170964  2.32583565    0.0341
                           4.61754529
   ========================== 
     21   s =  0.85487548  0.85768178    0.0028
          p =  1.36968453  1.40060736    0.0309
          d =  0.05171632  0.05218349    0.0005
          f =  0.01221254  0.01233996    0.0001
          ns   0.00322077  0.00302306   -0.0002
          ------------------------------------
          TOT  2.29170964  2.32583565    0.0341
                           4.61754529
   ========================== 
     22   s =  0.84678885  0.84998080    0.0032
          p =  1.40469200  1.43634756    0.0317
          d =  0.04939812  0.04993498    0.0005
          f =  0.01242987  0.01248264    0.0001
          ns   0.02332740  0.02304231   -0.0003
          ------------------------------------
          TOT  2.33663624  2.37178828    0.0352
                           4.70842453
   ========================== 
     23   s =  0.84678885  0.84998080    0.0032
          p =  1.40469200  1.43634756    0.0317
          d =  0.04939812  0.04993498    0.0005
          f =  0.01242987  0.01248264    0.0001
          ns   0.02332740  0.02304231   -0.0003
          ------------------------------------
          TOT  2.33663625  2.37178829    0.0352
                           4.70842453
   ========================== 
     24   s =  0.84678885  0.84998080    0.0032
          p =  1.40469201  1.43634756    0.0317
          d =  0.04939812  0.04993498    0.0005
          f =  0.01242987  0.01248264    0.0001
          ns   0.02332740  0.02304231   -0.0003
          ------------------------------------
          TOT  2.33663625  2.37178829    0.0352
                           4.70842453
 
############################################
 
25.03.2020 19:37:58:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:37:58:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:37:58:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:58:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   78.777087
       spin moment in wigner seitz cell =    0.041735
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.777087
                              spin magnetic moment =     0.041735
 
  Atom    2 charge in wigner seitz cell =    1.485602
       spin moment in wigner seitz cell =    0.012125
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.485602
                              spin magnetic moment =     0.012125
 
  Atom    3 charge in wigner seitz cell =    1.485602
       spin moment in wigner seitz cell =    0.012125
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.485602
                              spin magnetic moment =     0.012125
 
  Atom    4 charge in wigner seitz cell =    1.485602
       spin moment in wigner seitz cell =    0.012125
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.485602
                              spin magnetic moment =     0.012125
 
  Atom    5 charge in wigner seitz cell =    1.098280
       spin moment in wigner seitz cell =    0.009790
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.098280
                              spin magnetic moment =     0.009790
 
  Atom    6 charge in wigner seitz cell =    1.098280
       spin moment in wigner seitz cell =    0.009790
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.098280
                              spin magnetic moment =     0.009790
 
  Atom    7 charge in wigner seitz cell =    1.098280
       spin moment in wigner seitz cell =    0.009790
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.098280
                              spin magnetic moment =     0.009790
 
  Atom    8 charge in wigner seitz cell =    1.361933
       spin moment in wigner seitz cell =    0.008039
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.361933
                              spin magnetic moment =     0.008039
 
  Atom    9 charge in wigner seitz cell =   49.740591
       spin moment in wigner seitz cell =    0.036761
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.259409
                              spin magnetic moment =     0.036761
 
  Atom   10 charge in wigner seitz cell =   49.740591
       spin moment in wigner seitz cell =    0.036761
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.259409
                              spin magnetic moment =     0.036761
 
  Atom   11 charge in wigner seitz cell =   49.740591
       spin moment in wigner seitz cell =    0.036761
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.259409
                              spin magnetic moment =     0.036761
 
  Atom   12 charge in wigner seitz cell =    1.363756
       spin moment in wigner seitz cell =    0.008056
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =     1.363756
                              spin magnetic moment =     0.008056
 
  Atom   13 charge in wigner seitz cell =   50.611748
       spin moment in wigner seitz cell =    0.038661
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.388252
                              spin magnetic moment =     0.038661
 
  Atom   14 charge in wigner seitz cell =   50.611748
       spin moment in wigner seitz cell =    0.038661
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.388252
                              spin magnetic moment =     0.038661
 
  Atom   15 charge in wigner seitz cell =   50.611748
       spin moment in wigner seitz cell =    0.038661
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.388252
                              spin magnetic moment =     0.038661
 
  Atom   16 charge in wigner seitz cell =   50.617543
       spin moment in wigner seitz cell =    0.034126
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.382457
                              spin magnetic moment =     0.034126
 
  Atom   17 charge in wigner seitz cell =   50.617543
       spin moment in wigner seitz cell =    0.034126
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.382457
                              spin magnetic moment =     0.034126
 
  Atom   18 charge in wigner seitz cell =   50.617543
       spin moment in wigner seitz cell =    0.034126
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.382457
                              spin magnetic moment =     0.034126
 
  Atom   19 charge in wigner seitz cell =   50.617543
       spin moment in wigner seitz cell =    0.034126
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.382457
                              spin magnetic moment =     0.034126
 
  Atom   20 charge in wigner seitz cell =   50.617543
       spin moment in wigner seitz cell =    0.034126
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.382457
                              spin magnetic moment =     0.034126
 
  Atom   21 charge in wigner seitz cell =   50.617543
       spin moment in wigner seitz cell =    0.034126
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.382457
                              spin magnetic moment =     0.034126
 
  Atom   22 charge in wigner seitz cell =   50.708423
       spin moment in wigner seitz cell =    0.035152
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.291577
                              spin magnetic moment =     0.035152
 
  Atom   23 charge in wigner seitz cell =   50.708423
       spin moment in wigner seitz cell =    0.035152
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.291577
                              spin magnetic moment =     0.035152
 
  Atom   24 charge in wigner seitz cell =   50.708423
       spin moment in wigner seitz cell =    0.035152
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   1 charge neutrality in unit cell =    -1.291577
                              spin magnetic moment =     0.035152
 
                    TOTAL mag. moment in unit cell =     0.660054
25.03.2020 19:37:58:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:58:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:37:58:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:58:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:37:59:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:37:59:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:37:59:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:37:59:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  2.3160D+00  ,  v+ - v- =  5.0750D-03
      rms-error non spherical contribution for atom   1 :v+ + v- =  3.3909D-01  ,  v+ - v- =  3.4545D-04
      rms-error for atom  2 :v+ + v- =  1.0099D+00  ,  v+ - v- =  4.8691D-03
      rms-error non spherical contribution for atom   2 :v+ + v- =  4.1981D-01  ,  v+ - v- =  3.3251D-04
      rms-error for atom  3 :v+ + v- =  1.0099D+00  ,  v+ - v- =  4.8691D-03
      rms-error non spherical contribution for atom   3 :v+ + v- =  4.1981D-01  ,  v+ - v- =  3.3251D-04
      rms-error for atom  4 :v+ + v- =  1.0099D+00  ,  v+ - v- =  4.8691D-03
      rms-error non spherical contribution for atom   4 :v+ + v- =  4.1981D-01  ,  v+ - v- =  3.3251D-04
      rms-error for atom  5 :v+ + v- =  9.5281D-01  ,  v+ - v- =  5.8603D-03
      rms-error non spherical contribution for atom   5 :v+ + v- =  3.4870D-01  ,  v+ - v- =  2.6879D-04
      rms-error for atom  6 :v+ + v- =  9.5281D-01  ,  v+ - v- =  5.8603D-03
      rms-error non spherical contribution for atom   6 :v+ + v- =  3.4870D-01  ,  v+ - v- =  2.6879D-04
      rms-error for atom  7 :v+ + v- =  9.5281D-01  ,  v+ - v- =  5.8603D-03
      rms-error non spherical contribution for atom   7 :v+ + v- =  3.4870D-01  ,  v+ - v- =  2.6879D-04
      rms-error for atom  8 :v+ + v- =  9.2781D-01  ,  v+ - v- =  5.5373D-03
      rms-error non spherical contribution for atom   8 :v+ + v- =  4.0150D-01  ,  v+ - v- =  1.7559D-04
      rms-error for atom  9 :v+ + v- =  9.2629D-01  ,  v+ - v- =  5.7061D-03
      rms-error non spherical contribution for atom   9 :v+ + v- =  3.3640D-01  ,  v+ - v- =  3.8857D-04
      rms-error for atom 10 :v+ + v- =  9.2629D-01  ,  v+ - v- =  5.7061D-03
      rms-error non spherical contribution for atom  10 :v+ + v- =  3.3640D-01  ,  v+ - v- =  3.8857D-04
      rms-error for atom 11 :v+ + v- =  9.2629D-01  ,  v+ - v- =  5.7061D-03
      rms-error non spherical contribution for atom  11 :v+ + v- =  3.3640D-01  ,  v+ - v- =  3.8857D-04
      rms-error for atom 12 :v+ + v- =  7.6481D-01  ,  v+ - v- =  5.0164D-03
      rms-error non spherical contribution for atom  12 :v+ + v- =  3.5414D-01  ,  v+ - v- =  2.0793D-04
      rms-error for atom 13 :v+ + v- =  6.7376D-01  ,  v+ - v- =  4.8165D-03
      rms-error non spherical contribution for atom  13 :v+ + v- =  3.0525D-01  ,  v+ - v- =  1.5239D-04
      rms-error for atom 14 :v+ + v- =  6.7376D-01  ,  v+ - v- =  4.8165D-03
      rms-error non spherical contribution for atom  14 :v+ + v- =  3.0525D-01  ,  v+ - v- =  1.5239D-04
      rms-error for atom 15 :v+ + v- =  6.7376D-01  ,  v+ - v- =  4.8165D-03
      rms-error non spherical contribution for atom  15 :v+ + v- =  3.0525D-01  ,  v+ - v- =  1.5239D-04
      rms-error for atom 16 :v+ + v- =  5.8176D-01  ,  v+ - v- =  4.8843D-03
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.1734D-01  ,  v+ - v- =  1.6607D-04
      rms-error for atom 17 :v+ + v- =  5.8176D-01  ,  v+ - v- =  4.8843D-03
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.1734D-01  ,  v+ - v- =  1.6607D-04
      rms-error for atom 18 :v+ + v- =  5.8176D-01  ,  v+ - v- =  4.8843D-03
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.1734D-01  ,  v+ - v- =  1.6607D-04
      rms-error for atom 19 :v+ + v- =  5.8176D-01  ,  v+ - v- =  4.8843D-03
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.1734D-01  ,  v+ - v- =  1.6607D-04
      rms-error for atom 20 :v+ + v- =  5.8176D-01  ,  v+ - v- =  4.8843D-03
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.1734D-01  ,  v+ - v- =  1.6607D-04
      rms-error for atom 21 :v+ + v- =  5.8176D-01  ,  v+ - v- =  4.8843D-03
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.1734D-01  ,  v+ - v- =  1.6607D-04
      rms-error for atom 22 :v+ + v- =  5.7534D-01  ,  v+ - v- =  5.3268D-03
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.2437D-01  ,  v+ - v- =  1.0920D-04
      rms-error for atom 23 :v+ + v- =  5.7534D-01  ,  v+ - v- =  5.3268D-03
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.2437D-01  ,  v+ - v- =  1.0920D-04
      rms-error for atom 24 :v+ + v- =  5.7534D-01  ,  v+ - v- =  5.3268D-03
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.2437D-01  ,  v+ - v- =  1.0920D-04
      ITERATION   1 average rms-error : v+ + v- =  9.5526D-01
                                        v+ - v- =  5.2151D-03
25.03.2020 19:37:59:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.870084907950550E-009
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  1.018501456431383E-009
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  1.026773119062793E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  1.003161937739771E-009
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  5.917031625959759E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  4.836588773508626E-010
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  1.620610323749112E-010
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  2.274948718514103E-010
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  1.058684301006925E-010
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.808274695957928E-010
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  8.248291235855640E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  2.221184957257981E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  9.368615252074554E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  3.890643581542210E-010
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.940577265682720E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  2.245720425980900E-010
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.470644956694487E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  4.082765333601119E-010
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  3.358524984578787E-010
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  2.191396626221753E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.645451221815979E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  2.039148169443013E-010
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.521062418955478E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  3.303567962449875E-010
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.138576734296185E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  3.714259464767762E-010
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  9.609227981009432E-011
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.242738230622027E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  2.698400284420415E-010
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  1.449434641319626E-010
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.027736910459696E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  2.795453721792717E-010
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  1.079460030913130E-010
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  5.652885963860074E-011
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.445023371354339E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  1.854245668755873E-010
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  6.261238850594861E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  2.554783893290298E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  6.075159772214848E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  5.971213628854964E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  1.133001901345484E-010
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.878435368581491E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  6.836106751162134E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  1.972599102112336E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.108123389163403E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.734802018841617E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.514494164602890E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.111666388391068E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  6.861792640367048E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  3.551930001419553E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.899812377984323E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  9.106333194806588E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.117459874636827E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.078149877282347E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  3.062743066151632E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.025692988775199E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.041640012861740E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.128507633421418E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  2.436525239187636E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.293295967771932E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.670769330321015E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  3.294356175786393E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.536203947434846E-010
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  2.279213179871806E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  3.947865899397861E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  5.638900700178405E-010
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  3.588042728550160E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.776090282765501E-003
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  3.076133970663648E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  3.186716292832742E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  3.279764853320386E-010
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  1.280415504742991E-010
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  1.531370973108147E-003
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  2.110083932111508E-003
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  2.640676923396496E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  1.218247574598932E-003
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  6.881426698499380E-010
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  2.621337620082822E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  2.652412279148062E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  3.294356007683392E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  1.370219536117201E-010
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  2.279213150884608E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  3.947865891823262E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  2.385666083061617E-010
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  3.588042635828040E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.776090205026701E-003
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  3.076133954619773E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  3.186716159566279E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.587974992862290E-010
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  1.569408113362583E-010
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  1.531370971781128E-003
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  2.110083934499184E-003
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  2.640676818487571E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  1.218247524665360E-003
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  6.818396282661802E-010
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  2.621337489643345E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  2.652412304978162E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  7.149738817080529E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  5.852752039170689E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  6.653900413929114E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  3.924966313146302E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  2.167504199913122E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  3.599913589678821E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  7.136540161703384E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  2.024171700615427E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.241808221081866E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.129215267692750E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  3.196731895266833E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.373803595069625E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  2.274700082673946E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.621115200448433E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  2.960237182217597E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  7.896781017074127E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  3.995053848628909E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  6.293478812044023E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  1.276137759517624E-003
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.077129086953045E-010
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  4.296485725249423E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  5.741364555368113E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.161597704603543E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.235122877914832E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  9.806208363587000E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  9.095933500623555E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  3.609900334305575E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  3.252593116912611E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.480451115425592E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  2.615889354310732E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  2.043886808128113E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  3.924966194314143E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  2.346108722106332E-003
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  3.599913474997859E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  3.360454473554916E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  4.031555262147555E-011
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  2.563640521755339E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.969948038565007E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  1.598365977753188E-003
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  2.768450910608874E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  1.137350055835372E-003
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.889104637794774E-010
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  1.480118619845795E-003
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  2.582339948807602E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  3.995053822345544E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  1.276137744972661E-003
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  2.371622602211792E-003
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  6.522236488769011E-011
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  6.843099380896287E-011
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  2.049696106748572E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  2.265426429777464E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  2.816828159326111E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  4.547967612687080E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  7.877308903604939E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  1.626296551304552E-003
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  4.071484936778514E-011
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  1.307944596048451E-003
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  3.550177428867598E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  3.924966119580106E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  2.346108662560730E-003
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  3.599913389156362E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  3.360454374564328E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  1.187707817142335E-010
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  2.563640579497435E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.969948042713185E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  1.598365955850694E-003
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  2.768451011180629E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  1.137350063117423E-003
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  2.879795744115321E-010
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  1.480118609992214E-003
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  2.582339875864692E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  3.995053800152244E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  1.276137741099564E-003
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  2.371622534603543E-003
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  6.043763376617140E-011
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.451287451757107E-011
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  2.049696085976992E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  2.265426642323010E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  2.816828174507186E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  4.547967210832083E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  7.877310234821099E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  1.626296542997239E-003
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.044943398354936E-010
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  1.307944561761240E-003
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  3.550177651417611E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.519341828715492E-010
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  2.394765195488100E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  3.175330883862861E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  1.575153362500266E-009
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  9.551565083809195E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  7.461842256200174E-010
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.075814637514798E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  2.452314900959395E-010
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.460732419855055E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  1.814855578105784E-010
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.222887111983047E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.575404798417080E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  7.761405561397296E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  3.293132307565833E-010
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.939206206708357E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  1.916127858368781E-010
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.715622547359042E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  3.336318832529901E-010
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.340735403791107E-010
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  1.022345038729290E-010
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  4.053272387982236E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  6.300620372216137E-011
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  5.811754870806470E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  7.774674349631248E-011
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.121853845231447E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  1.790992166934958E-010
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.142638396462913E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.172903608383579E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.895187944034456E-010
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.330767680486959E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  7.759379665075256E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  1.080625517153945E-010
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.697761373868329E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.411935772516900E-010
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.442907775362262E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  1.608365851426919E-010
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.512333420318582E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.517305428080925E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  2.434532402302194E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  3.745160710415860E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  1.172801933578735E-010
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  2.949467622332172E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  3.011382666562839E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  6.902339031237321E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  7.851413282284486E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.880345002262892E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  3.077996208736936E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  3.407388205256669E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.860934704706757E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  5.433829383438362E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.968442480257037E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  3.160632990057056E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  1.582511403515339E-010
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  5.456115640275867E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  3.548890541410106E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  3.454398578885805E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  7.575954684927229E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  5.857440337985957E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.047670447160258E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  8.412792646471627E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.882257322798000E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  4.985556743692414E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  3.261098835343697E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.904514050118983E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  2.431323044320115E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.768052364794130E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  1.560228023686982E-003
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  2.481090037160436E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.474733839446724E-003
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  2.554313775953213E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.954261487439071E-011
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  1.704721141899924E-003
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  1.611616703439791E-003
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  1.538998116328019E-003
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  2.665622793993438E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  9.304674518622050E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.275643375917790E-010
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  9.842211492153239E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.580316276153736E-003
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  2.991596788717107E-003
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  3.250327925511961E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.727199065086236E-003
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  2.651452398092514E-011
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  3.787079044823804E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  2.737188313910059E-003
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  1.098321101370284E-010
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  4.206396302872634E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  1.351197059046483E-003
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  2.105587550020156E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  1.630549455594808E-003
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  2.824194407631412E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  1.215661592835738E-003
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  5.017762840829044E-011
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  7.801139989941344E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  7.285692337388176E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.474733763916102E-003
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  2.554313759521545E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  2.571854012275110E-011
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  1.704721114054268E-003
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  1.611616732109134E-003
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  1.538998050368343E-003
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  2.665622918412746E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  9.304674345944508E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  6.879865184879389E-011
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  9.842211156670026E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.580316226887348E-003
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  2.991596817028395E-003
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  3.250327837451890E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.727199018890455E-003
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  8.379573822316238E-012
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  3.787078920850994E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  2.737188340022258E-003
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  8.347698626000223E-011
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  4.206396369742812E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  1.351197083797437E-003
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  2.105587449118700E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  1.630549424493720E-003
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  2.824194400480688E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  1.215661581501899E-003
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  4.533873249331971E-011
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  7.801139701776892E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  7.285691516046066E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  3.565366692528583E-010
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.618240916093070E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.748668423389269E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  1.119400518979502E-009
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.764988008606473E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  9.600683372774322E-010
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  6.843732092458420E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  4.560839013775370E-010
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  2.094295566167164E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.255307744799825E-007
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.422865601299960E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  3.027453635277435E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.034809670622461E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  3.150495206253464E-010
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.891097289006786E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  2.205667789775857E-010
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.185350884111475E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  5.721042704620200E-010
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  3.534898755820257E-010
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.011493601802355E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.980552095474259E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  1.285851202996252E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  5.689575673764090E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.987692501463491E-010
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.321146854408439E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  6.104694672880638E-010
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.603029994078009E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.290152446762967E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  6.701933200886985E-010
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.236016023403761E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.369817920058066E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.998486375037458E-010
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.998745605980846E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  6.086041810653169E-010
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  4.999737441443917E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.148986320400133E-009
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.701909052520640E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.841581519589440E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  1.640680976900359E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.439251632991063E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  3.241440136717799E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  8.881972150302335E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.213680340492770E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  1.057482708190560E-010
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.448307223038823E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.904703288873209E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  3.513373626143850E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.479961515086253E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  4.751390090989384E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  2.432912080000995E-003
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  1.738348466530578E-003
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.588351708013286E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.246253872492175E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.424149430865593E-003
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.242824021809777E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.875930517707698E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  8.078740145042548E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  3.995204865194650E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.049993540239765E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.052795568030808E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  1.540568276726126E-003
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  1.017927913792611E-010
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.091803179374607E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  1.583412147442861E-003
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  8.003364166298685E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.790632484043969E-003
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.413760134092931E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  6.626622328118890E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  2.807169312443386E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.620719455564139E-003
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  3.184808301659264E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  8.565316695603964E-011
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  2.106963560998461E-003
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.756686974342675E-003
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  3.042670678438046E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  3.085359052688594E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  5.993169717688230E-011
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  1.216455692587510E-003
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  8.691738519978533E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  3.459948763288550E-003
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  2.490628847929624E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  7.120746974726994E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.233349521430683E-003
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.437965308108903E-003
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  7.430755561457178E-011
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  1.997602143614775E-003
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  1.505453791326535E-003
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  1.029824722360110E-010
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  7.702841757070925E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.550733210346951E-003
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  7.917059643196874E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  1.371275116647992E-003
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  8.953163146268682E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  5.727610845276800E-011
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  2.444999121702856E-003
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  1.334171251159903E-003
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  2.807168934561829E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.620719473528714E-003
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  3.184808264980517E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  9.108964923903535E-011
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  2.106963338424478E-003
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.756686904442773E-003
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  3.042670918069032E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  3.085359003209794E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  5.769466557273606E-011
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  1.216455674847623E-003
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  8.691738397618777E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  3.459948602891714E-003
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  2.490628861275910E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  7.120746606064202E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.233349539943939E-003
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.437965279865411E-003
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  7.541234697733006E-011
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  1.997602087620516E-003
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  1.505453609286707E-003
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  1.036195312842343E-010
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  7.702841579553890E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.550733264896634E-003
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  7.917059560980105E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  1.371275020915624E-003
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  8.953162879383670E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  5.614621228567908E-011
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  2.444999055376964E-003
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  1.334171271848002E-003
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  2.393682462112099E-003
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  8.708003226362099E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  2.138548518791688E-003
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  1.498006721039798E-003
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.232305778144698E-003
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  1.090708167491504E-003
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  3.318918977600792E-003
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.289131892719969E-003
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  1.418729634970813E-003
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  1.474716642905361E-003
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  1.503065135845178E-003
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  6.620345624015581E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  3.350437166220304E-003
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.523090515089208E-004
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  3.613960488836772E-003
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.911325560979940E-003
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  2.134691791168689E-003
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  7.040639038344872E-004
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  1.104014622301246E-003
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  1.170385264594530E-003
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  1.718391520750979E-003
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  8.073193071599244E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  3.220207609097509E-003
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  3.989718166529132E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  3.994513038499520E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  9.387091293887405E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  1.908589950560845E-003
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  1.179739533893027E-003
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  1.309525724979899E-003
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  5.975876346792410E-004
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.374716428766952E-003
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  1.180277570844800E-004
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  3.053936581781196E-003
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  1.288193585712042E-003
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  3.406403762690694E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.879179306601015E-003
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.719504633072601E-003
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  2.148240607738581E-003
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  2.549889916368556E-003
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.266165419297681E-003
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  2.940120504357144E-003
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.289132042683752E-003
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  2.432792882690611E-003
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  2.179032773813325E-003
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  1.233703521389560E-003
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  1.084190935753135E-003
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  2.941433909851272E-003
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.523089297860371E-004
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  3.025726515217929E-003
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  9.877702820896047E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  1.737334589416484E-003
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  1.171432005093770E-003
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  1.513381335769921E-003
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  5.461933082394062E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  1.440944742548018E-003
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  8.073194433894313E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  3.450842437560333E-003
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.684236535669372E-003
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  3.994514851784117E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  1.434525359675566E-003
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  1.704336607083764E-003
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  6.401965975897834E-004
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  1.159848211425139E-003
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  8.524788898628768E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  1.694632560426869E-003
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  1.180278346443388E-004
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.172456675221203E-003
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  6.948057315067707E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  3.406403246400643E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.879179244830980E-003
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.719505074519918E-003
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  2.148240471888992E-003
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  2.549889904107649E-003
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.266165302767961E-003
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  2.940120470791727E-003
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.289131860628755E-003
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  2.432792595213673E-003
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  2.179032651753506E-003
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  1.233703496529929E-003
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  1.084190778028043E-003
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  2.941433837976825E-003
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.523090500549409E-004
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  3.025726452328590E-003
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  9.877702732075438E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  1.737334376093448E-003
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  1.171431832518860E-003
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  1.513381295449900E-003
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  5.461932197327389E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  1.440944710980436E-003
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  8.073192961468678E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  3.450842358799364E-003
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.684236322214683E-003
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  3.994512948136251E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  1.434525309552826E-003
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  1.704336491500686E-003
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  6.401966752332195E-004
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  1.159848189930761E-003
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  8.524787580595934E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  1.694632510350097E-003
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  1.180277531377059E-004
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.172456595948965E-003
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  6.948056114915509E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  2.393682363906952E-003
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  8.708002501312330E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  2.138548410894902E-003
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  1.498006899109774E-003
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.232305647131151E-003
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  1.090708300378619E-003
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  3.318918845466139E-003
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.289131985135407E-003
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  1.418729949255305E-003
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  1.474716798394900E-003
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  1.503065066057381E-003
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  6.620344328044198E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  3.350437032111945E-003
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.523089204063950E-004
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  3.613960358712305E-003
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.911325464307408E-003
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  2.134692031671847E-003
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  7.040641081032756E-004
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  1.104014596224584E-003
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  1.170385196766407E-003
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  1.718391447181145E-003
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  8.073194223239241E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  3.220207496138055E-003
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  3.989717626790329E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  3.994514673473359E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  9.387090993265683E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  1.908590092403129E-003
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  1.179739479108349E-003
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  1.309525669839358E-003
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  5.975877738417226E-004
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.374716386177616E-003
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  1.180278308206034E-004
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  3.053936476642213E-003
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  1.288193453353119E-003
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  9.595240079139143E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  3.463085466544860E-003
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  6.862837996453138E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  2.452962446539306E-003
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  3.609696357804551E-003
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  7.116371649082705E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  3.336317808629253E-003
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  4.788928432090550E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.289131814060386E-003
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  3.831315625737779E-003
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  3.630062404314697E-003
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  5.147932330541759E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  1.559641516089282E-003
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  4.720847506113023E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.523090433774310E-004
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  6.281106601197491E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  1.043867217133750E-003
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  3.848990443618501E-003
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  1.817939396582169E-003
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  6.113947240569583E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.488235864041358E-003
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  3.790399679528086E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  8.073192843279356E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  3.345414445277498E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  1.650055638737072E-003
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  3.994512804871904E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  9.337495643697731E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.592546056179428E-003
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  1.766581127586483E-003
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  2.187395406400464E-004
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  1.422716166222470E-003
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  4.010256154284250E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  1.180277505125951E-004
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  2.507124694932404E-004
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  1.291792719617671E-003
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  9.595242048512180E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  3.463085826293860E-003
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  6.862838291259968E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  2.452962747958088E-003
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  3.609696251568805E-003
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  7.116371302698850E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  3.336317702756315E-003
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  4.788928174486833E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.289131959988517E-003
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  3.831315393751713E-003
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  3.630062280749019E-003
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  5.147932204965407E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  1.559641473838699E-003
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  4.720847279894138E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.523089195697671E-004
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  6.281106270090741E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  1.043867217433203E-003
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  3.848990254576067E-003
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  1.817939219819870E-003
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  6.113947397879602E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.488235915099426E-003
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  3.790399588099545E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  8.073194144647014E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  3.345414713116781E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  1.650055440110926E-003
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  3.994514618827176E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  9.337495726859067E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.592545959312801E-003
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  1.766581214923531E-003
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  2.187395329675353E-004
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  1.422716042343857E-003
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  4.010256281136549E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  1.180278267803368E-004
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  2.507124824236270E-004
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  1.291792807735805E-003
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  9.772174410387460E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.195865976254106E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.637788417988636E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  1.016334904394427E-003
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  3.166785020387700E-003
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  1.045413604356036E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  3.948545100552856E-003
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  1.589993549388661E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  2.213888825141334E-003
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  9.902849610656900E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.154093602653802E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.420649446085801E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.978122796941450E-003
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.347438143857912E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  2.825637324894173E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.457058275429192E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  7.643419983728726E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  1.019201461840201E-003
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.764450311305141E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  3.212223203447962E-003
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.243352542524728E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.510833557714985E-003
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.032197911461841E-003
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  5.659089555770691E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  1.477136828560251E-003
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  3.080552800938939E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.918524211091652E-003
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  1.042424631971837E-011
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.817653367661479E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  4.838754723492247E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.513576609471884E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.252267421893392E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  7.921290700749570E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.400968303199352E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  6.086872561169920E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.348899805660895E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  7.905363168624239E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.373590393225361E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  8.801719719140550E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  2.284536914013855E-003
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  3.956935375455442E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  5.081671091532874E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  3.166784964728572E-003
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.917284037448731E-003
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.974272594242878E-003
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  3.419540278826884E-003
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.106944674058224E-003
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  4.910054251668251E-012
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  6.619396043509457E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  2.447073569833685E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  9.890610788625854E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.713104598463301E-003
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  1.412818265128387E-004
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  7.985460003229552E-011
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  3.821708700466653E-004
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  5.096005660395986E-004
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  2.527515899840612E-003
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  3.212223145755556E-003
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  1.279237765751588E-003
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  7.554167115191127E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.032197896369101E-003
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.308420162738675E-003
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  7.385680418417149E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  6.916050016864697E-013
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.459261888703467E-003
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  8.826542378324545E-004
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  5.678287715158043E-011
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  2.419376259899272E-004
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  6.846245440732265E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  5.271386460746476E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  3.960644775016345E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  6.860038811427309E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  3.043434592827475E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  9.265977986426189E-011
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  3.952679528578578E-004
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  4.190485329542759E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  8.801713969182764E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  2.284536783038900E-003
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  3.956934231232739E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  5.081671532843358E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  3.166784907099829E-003
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.917284058300482E-003
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.974272497261478E-003
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  3.419540306823056E-003
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.106944593138217E-003
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  4.899262656518095E-012
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  6.619393875595020E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  2.447073174232684E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  9.890610444235897E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.713104135662340E-003
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  1.412818171220093E-004
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  8.197119413705925E-011
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  3.821708539070037E-004
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  5.096005506502612E-004
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  2.527515956251212E-003
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  3.212223090421576E-003
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  1.279237806937007E-003
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  7.554166801840420E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.032197883108981E-003
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.308420174336694E-003
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  7.385680225618599E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  1.383959706126021E-012
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.459261823461398E-003
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  8.826542635745930E-004
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  5.736699370576336E-011
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  2.419376393120787E-004
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  6.846242360764969E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  5.271383911249641E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  3.960644578765872E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  6.860038023650795E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  3.043434514126292E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  9.242541326996985E-011
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  3.952679294915932E-004
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  4.190482650574799E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.870101683770981E-009
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  1.029832213698752E-009
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  9.213823723082551E-011
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  9.852214417086338E-010
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  5.679043358532965E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  5.276892249324014E-010
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  1.651446125792818E-010
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  2.380344008079828E-010
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.165180349289106E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.825510143921939E-010
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.229645942294676E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  2.247902609954813E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  9.893221441273700E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  3.901324658641113E-010
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.946982617242950E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  2.290935554595701E-010
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  6.488571540338852E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.088644417177690E-010
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  3.459185283057508E-010
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  2.193663285646339E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.664480308119169E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  2.085585837755054E-010
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  8.858560400006032E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  3.310192197431126E-010
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  8.161586250599091E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  3.708825056495352E-010
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.066480173577798E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.241939362525047E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  2.759996769613576E-010
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  1.470710412397859E-010
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.811789373264022E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  2.807633191123028E-010
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  1.092343456070476E-010
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  5.618577734518421E-011
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.450734607679588E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  1.866555342807378E-010
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  6.781417110330453E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  2.768873005601950E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  6.417751522910931E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  5.968819303212051E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  1.189845537348058E-010
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.845824751403018E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  7.152289719194787E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  1.975615359562244E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.106269554317400E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  1.758593273311972E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.518776642529941E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.141922172572556E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  6.980865391119174E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  3.543344226053723E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  4.932352863559025E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  9.221672681086386E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.433650375057068E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.095556355494448E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  3.063350846023976E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.046770890560522E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.040451552001523E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.151171537981989E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  2.430143597352058E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.318988888614165E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.747682473098360E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  3.301477388298558E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.957061000436805E-010
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  2.283708098531676E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  3.955651892721112E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  6.345515724209029E-010
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  3.578142098276912E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  1.771797010150324E-003
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  3.068698249232458E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  3.177315082826715E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  4.018246193897604E-010
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  1.098077498647502E-010
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.531674884787314E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  2.104557424394728E-003
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  2.635942142166286E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  1.215057019836113E-003
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  7.897813735914452E-010
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  2.614857383797783E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  2.652938653246793E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  3.301477213889872E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  1.624259369731729E-010
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  2.283708063384377E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  3.955651882831663E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.855517151033404E-010
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  3.578141997773852E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  1.771796931813770E-003
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  3.068698230385494E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  3.177314947686783E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  5.298692552868366E-010
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  1.530665385298960E-010
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.531674877369691E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  2.104557426140089E-003
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  2.635942036880143E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  1.215056970336231E-003
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  7.808717616955291E-010
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  2.614857254747451E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  2.652938676925803E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  7.216518710177346E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  5.949938813060701E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  6.666991231428328E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  3.911755623204696E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  2.233988360624932E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  3.601037639819516E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  7.144682935118252E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  2.052574088326178E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.249609123554142E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.170308833070232E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  3.173098585992051E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.381032586152348E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  2.275122476054848E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.583494968605571E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  2.951691741114496E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  7.951413612366053E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  3.978006984253260E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  6.270342415805640E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  1.269430094309605E-003
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.090469450104376E-010
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  4.385753555139187E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  5.748411565384447E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.181738668500725E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.247238587512366E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  9.991808838705651E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  8.940155128215291E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  3.571237856957470E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  3.246104389166717E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.468819851774537E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  2.602173954486471E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  2.070590584995663E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  3.911755499798011E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  2.346183450370683E-003
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  3.601037522903618E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  3.347933629527157E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  4.520966205982032E-011
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  2.556239953558504E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.970313841604517E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  1.586549325810542E-003
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  2.747983859674885E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  1.137561251796893E-003
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  4.001974287872087E-010
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  1.475845899345578E-003
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  2.575445212500267E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  3.978006960207245E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  1.269430082807750E-003
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  2.368232033241450E-003
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  7.326743261393059E-011
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  6.701076530678452E-011
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  2.045148193753153E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  2.253548542570643E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  2.811208744873524E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  4.470078385182860E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  7.742400854824671E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.623052180693421E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  4.426859376628291E-011
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  1.301086891953445E-003
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  3.542300213613485E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  3.911755425972145E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  2.346183392664372E-003
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  3.601037438770765E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  3.347933528457463E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  1.189547166903786E-010
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  2.556240012462049E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.970313845168864E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  1.586549301296928E-003
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  2.747983960350934E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  1.137561260204834E-003
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  2.852538588705142E-010
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  1.475845887928947E-003
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  2.575445139314936E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  3.978006936686970E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  1.269430077392021E-003
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  2.368231964833055E-003
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  6.681367128421219E-011
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.464461130980593E-011
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  2.045148170488655E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  2.253548754959676E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  2.811208760974674E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  4.470077973939831E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  7.742402161856021E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.623052170093112E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.090188026627290E-010
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  1.301086856604818E-003
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  3.542300437828918E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.510419589303475E-010
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  2.360750789238452E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  3.203281665749774E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  1.582106660202602E-009
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.586276272519019E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  7.574217978841984E-010
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.082991944754806E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  2.468097070357398E-010
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.445660602416837E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  1.861843681025134E-010
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.228530941592631E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.587370070034753E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  7.792838211942502E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  3.326836111321733E-010
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.961467574489402E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  1.968401810278013E-010
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.728307856141351E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  3.354672757288468E-010
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  1.400141123145343E-010
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  1.026503879744295E-010
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.001101749297958E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  6.428235045520251E-011
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  5.861677366894658E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  7.964370322785758E-011
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.128974048325819E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  1.867945793246365E-010
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.208977244593383E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.173416116773252E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  1.973789051034196E-010
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.338999697757469E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  7.777703533866176E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  1.138316164619244E-010
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.774088411810033E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.440575207560355E-010
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.444253718499339E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  1.790428435294202E-010
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.523580489330308E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  4.578135099751697E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  2.440913639176611E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.686103917620718E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.201972432364052E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  2.884925312741047E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.933004244906810E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  7.271677325828628E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  7.992823257478762E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.236993208209420E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  3.054405611042648E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  3.321600356289237E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.846843311918675E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  5.122535901617705E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.969360872284540E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  3.149925731541439E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  1.605187463662794E-010
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  5.591068345606644E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  3.597530595718737E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  3.463257065079918E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  7.210533317942780E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  6.020339325435119E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  7.983002769930489E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  8.396059055807566E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.822503032832988E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  4.878890695273049E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  3.235650080469029E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.910397653916130E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  2.420096723663153E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.738070703729183E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  1.554873251534775E-003
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  2.542238543973610E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  1.442462678156245E-003
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  2.498418495361995E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  8.625887697267912E-011
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  1.705516491873163E-003
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  1.599413195924022E-003
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  1.527202815663193E-003
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  2.645192737449015E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  9.234217577996847E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.328179392246635E-010
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  9.846803433464855E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.574962645991375E-003
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.999268466465708E-003
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  3.233629784372051E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.731628307811554E-003
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  2.766352776774078E-011
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  3.788021349221766E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  2.727915558127079E-003
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  1.109760262966307E-010
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  4.198029516679013E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  1.346559690167209E-003
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  2.095865267689576E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  1.617825074975561E-003
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  2.802155137292095E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  1.210048432140304E-003
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  5.044677819425044E-011
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  7.774366111591054E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  7.271200614944919E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  1.442462595905111E-003
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  2.498418462606200E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  2.746638643297732E-011
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  1.705516460873667E-003
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  1.599413223865766E-003
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  1.527202749248284E-003
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  2.645192856000352E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  9.234217373202731E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  6.657135878129603E-011
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  9.846803091844406E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.574962598265814E-003
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.999268495240967E-003
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  3.233629694339329E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.731628264189572E-003
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  8.101580321182024E-012
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  3.788021227662974E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  2.727915585145831E-003
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  8.268346868620253E-011
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  4.198029569552785E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  1.346559711544710E-003
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  2.095865165705874E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  1.617825041068228E-003
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  2.802155123679658E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  1.210048417934645E-003
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.553273077927950E-011
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  7.774365820158529E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  7.271199806574976E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  3.677459538559783E-010
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  2.709169749630772E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.773785014329310E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  1.121161562692233E-009
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  7.777965767438243E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  9.733528107459077E-010
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  6.883885041815406E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  4.690640730724150E-010
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.123284244818679E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.255349204402993E-007
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.452047022137512E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.039271299900065E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.034075634163598E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  3.149299169805735E-010
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.889716857913575E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  2.284527393251124E-010
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.189715306440292E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  5.830219405454274E-010
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  3.658162296196756E-010
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.969884943389210E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.072486411738080E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  1.285830655369314E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.585715094132048E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.141492098360437E-010
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.341970972953325E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  6.259837867997593E-010
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  8.727254780525372E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.289860547396262E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  7.031220294383995E-010
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  8.182427561367700E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.359863276802169E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.132444391581767E-010
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.071476740627473E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  6.369227314800892E-010
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  4.998451188127472E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.196848893833601E-009
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.728344686831239E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.840339857937596E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.642029925030714E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.381606708324303E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  3.233580564876604E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.809786826838304E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.219662137837926E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  1.041990945567040E-010
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.445920259056306E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.928532358042946E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  3.509947026225724E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.468318936680060E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  4.704545386231347E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.423567464924455E-003
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  1.725921653099074E-003
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.590708985188230E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.247026325910796E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.420345398550981E-003
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.245251653893159E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  2.875038327801182E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  8.087372785801256E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  3.980450973685610E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.052411381692001E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.047037224811723E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  1.539032293277445E-003
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  1.023318237674990E-010
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.090662290117765E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  1.579853514121201E-003
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.989253155464285E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.787490069912784E-003
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.380984446437040E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  6.600838627706650E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  2.800362724958999E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.616789671228876E-003
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  3.191450874682663E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  8.644807819080921E-011
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  2.098870887793730E-003
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.754973674426256E-003
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  3.039703156012541E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  3.080649914447546E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  5.808039489910776E-011
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.211783386573524E-003
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  8.629604463444372E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  3.447171519113720E-003
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  2.489856188941530E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  7.101726821929584E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  1.230055133326553E-003
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.437519214334387E-003
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  7.416311928679044E-011
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  1.990225198282670E-003
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  1.494691856158275E-003
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  1.029469601638035E-010
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  7.695161838688619E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.548011799833517E-003
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  7.899266483570965E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  1.368193250112410E-003
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  8.937451075025552E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  5.695003595643328E-011
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  2.439057205386925E-003
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  1.332841050441317E-003
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  2.800362346823626E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.616789688386932E-003
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  3.191450839203336E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  8.986649362072283E-011
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  2.098870667213416E-003
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.754973604351888E-003
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  3.039703393352196E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  3.080649865256099E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  5.744570112159138E-011
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.211783369640613E-003
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  8.629604342096075E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  3.447171358300735E-003
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  2.489856201748617E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  7.101726457415210E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  1.230055152379103E-003
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.437519185838115E-003
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  7.542528056947741E-011
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  1.990225142834065E-003
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  1.494691674498059E-003
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  1.032016457952904E-010
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  7.695161661888197E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.548011853691893E-003
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  7.899266402064261E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  1.368193154471641E-003
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  8.937450810064096E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  5.595559608430561E-011
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  2.439057139443992E-003
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  1.332841070515781E-003
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.375883918298632E-003
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  8.654208699356553E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  2.112148809624547E-003
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.483588283278320E-003
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  3.223402122090466E-003
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  1.077045843235394E-003
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  3.320374850598490E-003
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.292578817509806E-003
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.408476473900772E-003
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  1.472984760087014E-003
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  1.501346886569350E-003
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  6.561283971126115E-004
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  3.343273943972434E-003
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.513040880732464E-004
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  3.602759189968000E-003
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  1.894323414492246E-003
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  2.126910121960477E-003
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  7.044874142332529E-004
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  1.100119608337714E-003
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  1.163739890532523E-003
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  1.709710305790898E-003
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  8.273849073886962E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  3.208783553141104E-003
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  4.002472780713084E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  3.988553426207124E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  9.363317278894981E-004
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  1.894989272727993E-003
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  1.168359714546999E-003
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  1.304808685258985E-003
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  5.965108761708183E-004
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  1.369361112695832E-003
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.189716044468835E-004
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  3.041502319735261E-003
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  1.283471088281222E-003
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  3.378891576448720E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  1.856367154147404E-003
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  1.716881060925060E-003
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  2.156664366198924E-003
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  2.533150636291578E-003
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  2.265722001890813E-003
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  2.928262475212628E-003
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.292578965368541E-003
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  2.429163031517870E-003
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  2.174166406645206E-003
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  1.232052438250018E-003
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  1.080089593578639E-003
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  2.936011598232489E-003
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.513039677288141E-004
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  3.010455898062537E-003
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  9.762406134914835E-004
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  1.731339978722391E-003
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  1.164406802564860E-003
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  1.506067085353926E-003
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  5.443490279953005E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  1.436512425200195E-003
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  8.273851355208484E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  3.438386155831514E-003
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  1.672008460515471E-003
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  3.988555230655583E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  1.430302647546162E-003
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  1.700331076591920E-003
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  6.410929242472655E-004
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  1.156675276375276E-003
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  8.487948900106315E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  1.682026963539092E-003
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.189716822090702E-004
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  3.154456420258479E-003
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  6.915561738019407E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  3.378891061005199E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  1.856367095443126E-003
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  1.716881493561329E-003
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  2.156664230261303E-003
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  2.533150624433864E-003
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  2.265721884004827E-003
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  2.928262440678029E-003
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.292578781690798E-003
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  2.429162744633246E-003
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  2.174166282790124E-003
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  1.232052414121697E-003
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  1.080089438039894E-003
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  2.936011525601582E-003
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.513040872608348E-004
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  3.010455834909850E-003
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  9.762406040246006E-004
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  1.731339765710421E-003
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  1.164406630656949E-003
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  1.506067045281422E-003
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  5.443489403088190E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  1.436512394493956E-003
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  8.273848989893573E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  3.438386077625884E-003
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  1.672008247115536E-003
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  3.988553320942066E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  1.430302597735356E-003
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  1.700330959980394E-003
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  6.410930016930884E-004
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  1.156675254868644E-003
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  8.487947584706122E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  1.682026913422271E-003
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.189716000317459E-004
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  3.154456341061163E-003
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  6.915560545160044E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.375883820368577E-003
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  8.654208687112980E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  2.112148703412376E-003
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.483588461069414E-003
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  3.223401991420976E-003
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  1.077045976021339E-003
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  3.320374717495167E-003
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.292578907296041E-003
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.408476788681246E-003
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  1.472984915606303E-003
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  1.501346816804920E-003
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  6.561282733543776E-004
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  3.343273810052407E-003
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.513039575842580E-004
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  3.602759060340467E-003
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  1.894323317831746E-003
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  2.126910362771474E-003
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  7.044876189222195E-004
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  1.100119582605430E-003
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  1.163739822120780E-003
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  1.709710232282871E-003
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  8.273851155701603E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  3.208783440534153E-003
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  4.002472209902983E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  3.988555051909009E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  9.363316980245673E-004
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  1.894989414835971E-003
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  1.168359659873309E-003
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  1.304808630109001E-003
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  5.965110154101240E-004
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  1.369361070249791E-003
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.189716785280877E-004
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  3.041502214895072E-003
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  1.283470955644285E-003
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  9.522633182340076E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  3.486345802104981E-003
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  7.069269476720580E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  2.427763035752718E-003
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  3.603699250652769E-003
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  7.199648312988130E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  3.321445266868922E-003
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  4.891562821341874E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.292578736523532E-003
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  3.815871954949450E-003
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  3.622714725492430E-003
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  5.048011003084440E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  1.558756549043440E-003
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  4.723361910282494E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.513040795421300E-004
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  6.346646570218920E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  1.039942371799338E-003
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  3.835201674357205E-003
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  1.810240738981344E-003
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  6.069013452053698E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  1.481966257401158E-003
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  3.774120695677009E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  8.273848872956103E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  3.335656008337717E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  1.633149542115777E-003
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  3.988553185555436E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  9.292683747325817E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  3.574978407415301E-003
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  1.756205241414400E-003
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  2.170312779290540E-004
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  1.418184765677534E-003
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  3.949142055089481E-004
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.189715975378591E-004
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  2.474868814882997E-004
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  1.288594027687226E-003
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  9.522635173447117E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  3.486346172313095E-003
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  7.069269764721339E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  2.427763311539008E-003
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  3.603699143904696E-003
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  7.199647948177183E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  3.321445160838398E-003
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  4.891562575651437E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.292578878774944E-003
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  3.815871723762636E-003
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  3.622714600698210E-003
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  5.048010877573457E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  1.558756505652863E-003
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  4.723361688799032E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.513039573137588E-004
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  6.346646255667288E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  1.039942372232317E-003
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  3.835201485554479E-003
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  1.810240563257625E-003
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  6.069013613572419E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  1.481966308959213E-003
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  3.774120607129962E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  8.273851109462743E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  3.335656274896625E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  1.633149343447354E-003
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  3.988554984174243E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  9.292683836171716E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  3.574978309563091E-003
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  1.756205328231027E-003
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  2.170312705056564E-004
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  1.418184641873841E-003
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  3.949142178977812E-004
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.189716739709931E-004
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  2.474868941804795E-004
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  1.288594115756259E-003
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  9.875511026914637E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  3.208962620048741E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  5.626268028043215E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.004500737283290E-003
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  3.157382748011139E-003
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.075240227186558E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  3.934492327403012E-003
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.511852012226729E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.209096452393927E-003
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  1.063054754939089E-011
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.153665130639539E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.440491619345067E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.979894875845198E-003
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.349775315385221E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.866921825691788E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  8.435916447651501E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  7.608974836129323E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  1.014597257454968E-003
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.752757491359918E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  3.201836574846845E-003
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.212174115360918E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.504213946904145E-003
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  1.027062233836278E-003
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  5.612355763709101E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  1.465668612532953E-003
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  2.710616684741123E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  2.904727726738701E-003
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  1.091619964484612E-011
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.810914275415529E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  4.791534492221785E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.511612370671617E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.250766147234731E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  7.922742666802321E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.402032225552322E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  6.092372014952459E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.335521766421229E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  7.894715009845878E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.375945000906507E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  8.699232831662285E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  2.289855425314212E-003
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  3.966147313700557E-003
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  5.022500325310154E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  3.157382691940071E-003
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  1.913133720078331E-003
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  1.967246205107303E-003
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  3.407370220167250E-003
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.104548486265509E-003
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  6.392804868417448E-012
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  6.589565673227871E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  2.482827002977300E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  9.899471185326354E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.714639264492019E-003
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.433460531335518E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  7.943439595116533E-011
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  3.804486135952746E-004
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  5.072984650320910E-004
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  2.515567794636964E-003
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  3.201836517357874E-003
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  1.269306000799072E-003
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  7.521069059330707E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  1.027062219141416E-003
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.302687411459586E-003
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  7.328339348085062E-004
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  7.257782366806730E-013
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  1.452363646456440E-003
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  8.786668803826015E-004
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.668482971093222E-011
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  2.395766154111574E-004
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  6.837023866162770E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  5.276149128332938E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  3.961370769233052E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  6.861296249112300E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  3.046184316714822E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  9.267594496041384E-011
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  3.947355448140542E-004
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  4.149591415653369E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  8.699227058497595E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  2.289855295333367E-003
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  3.966146174592594E-003
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  5.022500741372858E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  3.157382632504719E-003
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  1.913133739247904E-003
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  1.967246109729402E-003
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  3.407370247278472E-003
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.104548405358014E-003
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  4.731971366777664E-012
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  6.589563519231458E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  2.482826624085458E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  9.899470843660874E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.714638802135208E-003
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.433460444895584E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  8.144895435382820E-011
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  3.804485974607297E-004
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  5.072984494289000E-004
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  2.515567851330494E-003
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  3.201836461220880E-003
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  1.269306042632393E-003
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  7.521068747837293E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  1.027062206061913E-003
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.302687423111015E-003
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  7.328339159326915E-004
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  1.162472731056745E-012
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  1.452363581762850E-003
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  8.786669066251544E-004
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.722830181441459E-011
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  2.395766285318513E-004
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  6.837020793454098E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  5.276146579475694E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  3.961370573271994E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  6.861295479979580E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  3.046184238069578E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  9.223752771679824E-011
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  3.947355216127133E-004
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  4.149588735101394E-004
25.03.2020 19:37:59:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:37:59:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:38:00:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:38:00:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6847.15055856 p = -3233.94500804
                                d =  -848.68712019 f =   -26.67950509
       valence  contribution :  s =    -0.20263492 p =    -0.05483765
                                d =    -1.92993087 f =    -0.00354715
                                ns      0.01094523
     single particle energies  spin  up    
         core   contribution :  s = -6847.25053579 p = -3234.18450683
                                d =  -848.88712018 f =   -26.81949165
       valence  contribution :  s =    -0.20884680 p =    -0.05758688
                                d =    -2.01161012 f =    -0.00367977
                                ns      0.01139496
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21918.05418030
                                   band energy per atom :   -4.4503339740

     coulomb  contribution :   0  14076.00335115  1     -0.03597602
                               2     -0.01588343  3     -0.00542455
                               4      0.01794934  5     -0.00566645
                               6     -0.00006457
     --------------------------------------------------------------------
     tot. coulomb contribution :  14075.95828548

     ex.-cor. contribution :   0   -679.28281900  1      0.01319183
                               2      0.00779288  3     -0.00398692
                               4     -0.00994688  5      0.00262155
                               6      0.00004695
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -679.27309960

     eff. pot. contribution     : -27117.65498009
     total double counting contribution                 : -13720.96979421

   Total contribution of atom  1 =-35639.02397451
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10779835 p =    -0.12935085
                                d =    -0.06304076 f =    -0.02446117
                                ns      0.06163991
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.11082527 p =    -0.13286791
                                d =    -0.06509255 f =    -0.02544614
                                ns      0.06373109
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.53351200
                                   band energy per atom :   -0.5335119982

     coulomb  contribution :   0      1.08966139  1      0.03694509
                               2     -0.10264305  3     -0.02654305
                               4     -0.03693812  5     -0.00649975
                               6     -0.00085118
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.95313131

     ex.-cor. contribution :   0     -0.77874139  1     -0.00178002
                               2      0.05986345  3      0.01244150
                               4      0.02378704  5      0.00475793
                               6      0.00067507
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.67899642

     eff. pot. contribution     :     -0.42165615
     total double counting contribution                 :     -0.14752126

   Total contribution of atom  2 =    -0.68103326
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10779835 p =    -0.12935085
                                d =    -0.06304076 f =    -0.02446116
                                ns      0.06163991
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.11082527 p =    -0.13286791
                                d =    -0.06509255 f =    -0.02544614
                                ns      0.06373109
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.53351199
                                   band energy per atom :   -0.5335119926

     coulomb  contribution :   0      1.08966135  1      0.03694508
                               2     -0.10264305  3     -0.02654304
                               4     -0.03693812  5     -0.00649975
                               6     -0.00085118
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.95313128

     ex.-cor. contribution :   0     -0.77874138  1     -0.00178002
                               2      0.05986344  3      0.01244150
                               4      0.02378704  5      0.00475793
                               6      0.00067507
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.67899641

     eff. pot. contribution     :     -0.42165615
     total double counting contribution                 :     -0.14752129

   Total contribution of atom  3 =    -0.68103328
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10779835 p =    -0.12935085
                                d =    -0.06304076 f =    -0.02446116
                                ns      0.06163991
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.11082527 p =    -0.13286791
                                d =    -0.06509255 f =    -0.02544614
                                ns      0.06373109
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.53351199
                                   band energy per atom :   -0.5335119886

     coulomb  contribution :   0      1.08966133  1      0.03694507
                               2     -0.10264305  3     -0.02654304
                               4     -0.03693812  5     -0.00649975
                               6     -0.00085118
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.95313125

     ex.-cor. contribution :   0     -0.77874137  1     -0.00178002
                               2      0.05986344  3      0.01244150
                               4      0.02378704  5      0.00475793
                               6      0.00067507
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.67899641

     eff. pot. contribution     :     -0.42165615
     total double counting contribution                 :     -0.14752130

   Total contribution of atom  4 =    -0.68103329
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06171540 p =    -0.07497382
                                d =    -0.03562251 f =    -0.01228616
                                ns      0.01034695
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06362010 p =    -0.07694835
                                d =    -0.03662210 f =    -0.01268995
                                ns      0.01064688
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.35348455
                                   band energy per atom :   -0.3534845490

     coulomb  contribution :   0      0.64875201  1      0.00476333
                               2      0.00010631  3     -0.00012983
                               4     -0.03237476  5      0.00034110
                               6     -0.00153110
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.61992706

     ex.-cor. contribution :   0     -0.46472777  1     -0.00009030
                               2     -0.00033933  3     -0.00000519
                               4      0.01949078  5     -0.00000899
                               6      0.00129325
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.44438755

     eff. pot. contribution     :     -0.43841254
     total double counting contribution                 :     -0.26287304

   Total contribution of atom  5 =    -0.61635758
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06171540 p =    -0.07497382
                                d =    -0.03562251 f =    -0.01228616
                                ns      0.01034695
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06362010 p =    -0.07694835
                                d =    -0.03662210 f =    -0.01268995
                                ns      0.01064688
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.35348455
                                   band energy per atom :   -0.3534845485

     coulomb  contribution :   0      0.64875201  1      0.00476333
                               2      0.00010631  3     -0.00012983
                               4     -0.03237476  5      0.00034110
                               6     -0.00153110
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.61992705

     ex.-cor. contribution :   0     -0.46472778  1     -0.00009030
                               2     -0.00033933  3     -0.00000519
                               4      0.01949078  5     -0.00000899
                               6      0.00129325
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.44438755

     eff. pot. contribution     :     -0.43841254
     total double counting contribution                 :     -0.26287304

   Total contribution of atom  6 =    -0.61635759
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06171540 p =    -0.07497382
                                d =    -0.03562251 f =    -0.01228616
                                ns      0.01034695
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06362010 p =    -0.07694835
                                d =    -0.03662210 f =    -0.01268995
                                ns      0.01064688
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.35348455
                                   band energy per atom :   -0.3534845479

     coulomb  contribution :   0      0.64875201  1      0.00476333
                               2      0.00010631  3     -0.00012983
                               4     -0.03237476  5      0.00034110
                               6     -0.00153110
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.61992705

     ex.-cor. contribution :   0     -0.46472778  1     -0.00009030
                               2     -0.00033933  3     -0.00000519
                               4      0.01949078  5     -0.00000899
                               6      0.00129325
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.44438756

     eff. pot. contribution     :     -0.43841254
     total double counting contribution                 :     -0.26287305

   Total contribution of atom  7 =    -0.61635760
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08704238 p =    -0.10353399
                                d =    -0.04512084 f =    -0.01281040
                                ns      0.01735833
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08966449 p =    -0.10650539
                                d =    -0.04674711 f =    -0.01340605
                                ns      0.01811131
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46936100
                                   band energy per atom :   -0.4693610026

     coulomb  contribution :   0      0.80841834  1     -0.01309528
                               2     -0.01617746  3      0.00423179
                               4     -0.04821333  5     -0.00130438
                               6     -0.00057658
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.73328310

     ex.-cor. contribution :   0     -0.64336682  1      0.00154442
                               2      0.00361972  3      0.00077093
                               4      0.03160987  5      0.00121538
                               6      0.00082438
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60378211

     eff. pot. contribution     :     -0.40867906
     total double counting contribution                 :     -0.27917807

   Total contribution of atom  8 =    -0.74853907
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.85180738 p = -1090.42652698
                                d =  -191.49537947
       valence  contribution :  s =    -0.52574682 p =    -0.22468507
                                d =    -0.02125243 f =    -0.00662764
                                ns     -0.00292735
     single particle energies  spin  up    
         core   contribution :  s = -2635.93180690 p = -1090.60651674
                                d =  -191.69471811
       valence  contribution :  s =    -0.53976929 p =    -0.23528069
                                d =    -0.02196458 f =    -0.00681389
                                ns     -0.00299148
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7837.59481482
                                   band energy per atom :   -1.5880592352

     coulomb  contribution :   0   5109.42373563  1      0.01077835
                               2      0.00279903  3     -0.00300619
                               4      0.01109534  5     -0.00008684
                               6     -0.00040810
     --------------------------------------------------------------------
     tot. coulomb contribution :   5109.44490722

     ex.-cor. contribution :   0   -329.37896501  1     -0.00022088
                               2     -0.00039966  3      0.00358504
                               4     -0.01896021  5      0.00008597
                               6      0.00038716
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.39448759

     eff. pot. contribution     :  -9897.53826586
     total double counting contribution                 :  -5117.48784623

   Total contribution of atom  9 =-12955.08266105
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.85180738 p = -1090.42652698
                                d =  -191.49537947
       valence  contribution :  s =    -0.52574682 p =    -0.22468507
                                d =    -0.02125243 f =    -0.00662764
                                ns     -0.00292735
     single particle energies  spin  up    
         core   contribution :  s = -2635.93180690 p = -1090.60651674
                                d =  -191.69471811
       valence  contribution :  s =    -0.53976929 p =    -0.23528069
                                d =    -0.02196458 f =    -0.00681389
                                ns     -0.00299148
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7837.59481482
                                   band energy per atom :   -1.5880592329

     coulomb  contribution :   0   5109.42373597  1      0.01077835
                               2      0.00279903  3     -0.00300619
                               4      0.01109534  5     -0.00008684
                               6     -0.00040810
     --------------------------------------------------------------------
     tot. coulomb contribution :   5109.44490756

     ex.-cor. contribution :   0   -329.37896502  1     -0.00022088
                               2     -0.00039966  3      0.00358504
                               4     -0.01896021  5      0.00008597
                               6      0.00038716
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.39448760

     eff. pot. contribution     :  -9897.53826619
     total double counting contribution                 :  -5117.48784623

   Total contribution of atom 10 =-12955.08266105
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.85180738 p = -1090.42652698
                                d =  -191.49537947
       valence  contribution :  s =    -0.52574682 p =    -0.22468507
                                d =    -0.02125243 f =    -0.00662764
                                ns     -0.00292735
     single particle energies  spin  up    
         core   contribution :  s = -2635.93180690 p = -1090.60651674
                                d =  -191.69471811
       valence  contribution :  s =    -0.53976929 p =    -0.23528069
                                d =    -0.02196458 f =    -0.00681389
                                ns     -0.00299148
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7837.59481482
                                   band energy per atom :   -1.5880592326

     coulomb  contribution :   0   5109.42373711  1      0.01077835
                               2      0.00279903  3     -0.00300619
                               4      0.01109534  5     -0.00008684
                               6     -0.00040810
     --------------------------------------------------------------------
     tot. coulomb contribution :   5109.44490870

     ex.-cor. contribution :   0   -329.37896505  1     -0.00022088
                               2     -0.00039966  3      0.00358504
                               4     -0.01896021  5      0.00008597
                               6      0.00038716
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.39448763

     eff. pot. contribution     :  -9897.53826731
     total double counting contribution                 :  -5117.48784624

   Total contribution of atom 11 =-12955.08266106
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09859160 p =    -0.12048015
                                d =    -0.05594034 f =    -0.01708093
                                ns      0.05511146
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10120268 p =    -0.12321981
                                d =    -0.05735248 f =    -0.01764844
                                ns      0.05670569
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.47969928
                                   band energy per atom :   -0.4796992790

     coulomb  contribution :   0      0.74663661  1     -0.00564293
                               2     -0.12093477  3     -0.01876666
                               4     -0.01680535  5     -0.00311163
                               6     -0.00050466
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.58087062

     ex.-cor. contribution :   0     -0.68914515  1     -0.00064640
                               2      0.05188703  3      0.00938141
                               4      0.01977238  5      0.00393404
                               6      0.00033063
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60448605

     eff. pot. contribution     :     -0.38900877
     total double counting contribution                 :     -0.41262420

   Total contribution of atom 12 =    -0.89232348
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374631 p = -1151.65638245
                                d =  -210.18879370
       valence  contribution :  s =    -0.65625699 p =    -0.27897037
                                d =    -0.01453217 f =    -0.00376736
                                ns      0.00028540
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374536 p = -1151.83636593
                                d =  -210.38814424
       valence  contribution :  s =    -0.67001129 p =    -0.29369827
                                d =    -0.01467917 f =    -0.00377846
                                ns      0.00027871
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99230795
                                   band energy per atom :   -1.9351299553

     coulomb  contribution :   0   5304.87696132  1     -0.03638070
                               2      0.00330225  3      0.00137334
                               4      0.01042243  5     -0.00231811
                               6      0.00015189
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.85351242

     ex.-cor. contribution :   0   -339.84702944  1      0.01193262
                               2     -0.00345817  3     -0.01357441
                               4     -0.01422076  5      0.00214044
                               6     -0.00002685
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86423658

     eff. pot. contribution     : -10308.14287989
     total double counting contribution                 :  -5343.15360405

   Total contribution of atom 13 =-13581.14591200
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374631 p = -1151.65638245
                                d =  -210.18879370
       valence  contribution :  s =    -0.65625699 p =    -0.27897038
                                d =    -0.01453217 f =    -0.00376736
                                ns      0.00028540
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374536 p = -1151.83636593
                                d =  -210.38814424
       valence  contribution :  s =    -0.67001129 p =    -0.29369827
                                d =    -0.01467917 f =    -0.00377846
                                ns      0.00027871
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99230795
                                   band energy per atom :   -1.9351299554

     coulomb  contribution :   0   5304.87696139  1     -0.03638070
                               2      0.00330225  3      0.00137334
                               4      0.01042243  5     -0.00231811
                               6      0.00015189
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.85351249

     ex.-cor. contribution :   0   -339.84702944  1      0.01193262
                               2     -0.00345817  3     -0.01357441
                               4     -0.01422076  5      0.00214044
                               6     -0.00002685
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86423658

     eff. pot. contribution     : -10308.14287995
     total double counting contribution                 :  -5343.15360404

   Total contribution of atom 14 =-13581.14591200
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374631 p = -1151.65638245
                                d =  -210.18879370
       valence  contribution :  s =    -0.65625699 p =    -0.27897037
                                d =    -0.01453217 f =    -0.00376736
                                ns      0.00028540
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374536 p = -1151.83636593
                                d =  -210.38814424
       valence  contribution :  s =    -0.67001129 p =    -0.29369827
                                d =    -0.01467917 f =    -0.00377846
                                ns      0.00027871
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99230795
                                   band energy per atom :   -1.9351299554

     coulomb  contribution :   0   5304.87696158  1     -0.03638070
                               2      0.00330225  3      0.00137334
                               4      0.01042243  5     -0.00231811
                               6      0.00015189
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.85351268

     ex.-cor. contribution :   0   -339.84702944  1      0.01193262
                               2     -0.00345817  3     -0.01357441
                               4     -0.01422076  5      0.00214044
                               6     -0.00002685
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86423658

     eff. pot. contribution     : -10308.14288014
     total double counting contribution                 :  -5343.15360404

   Total contribution of atom 15 =-13581.14591200
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374650 p = -1151.65638291
                                d =  -210.18879427
       valence  contribution :  s =    -0.65645717 p =    -0.27861844
                                d =    -0.01452509 f =    -0.00373133
                                ns      0.00034367
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374554 p = -1151.83636639
                                d =  -210.38814481
       valence  contribution :  s =    -0.67017281 p =    -0.29317285
                                d =    -0.01474034 f =    -0.00377680
                                ns      0.00038343
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99164816
                                   band energy per atom :   -1.9344677199

     coulomb  contribution :   0   5305.23361471  1     -0.01265538
                               2      0.00172372  3      0.00091736
                               4      0.00688864  5     -0.00146330
                               6      0.00004503
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.22907077

     ex.-cor. contribution :   0   -339.85482818  1      0.01210843
                               2     -0.00349906  3     -0.01367807
                               4     -0.01411909  5      0.00203538
                               6     -0.00003114
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87201173

     eff. pot. contribution     : -10308.43712206
     total double counting contribution                 :  -5343.08006302

   Total contribution of atom 16 =-13581.07171117
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374650 p = -1151.65638291
                                d =  -210.18879427
       valence  contribution :  s =    -0.65645717 p =    -0.27861844
                                d =    -0.01452509 f =    -0.00373133
                                ns      0.00034367
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374554 p = -1151.83636639
                                d =  -210.38814481
       valence  contribution :  s =    -0.67017281 p =    -0.29317285
                                d =    -0.01474034 f =    -0.00377680
                                ns      0.00038343
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99164816
                                   band energy per atom :   -1.9344677199

     coulomb  contribution :   0   5305.23361469  1     -0.01265538
                               2      0.00172372  3      0.00091736
                               4      0.00688864  5     -0.00146330
                               6      0.00004503
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.22907076

     ex.-cor. contribution :   0   -339.85482818  1      0.01210843
                               2     -0.00349906  3     -0.01367807
                               4     -0.01411909  5      0.00203538
                               6     -0.00003114
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87201173

     eff. pot. contribution     : -10308.43712204
     total double counting contribution                 :  -5343.08006302

   Total contribution of atom 17 =-13581.07171118
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374650 p = -1151.65638291
                                d =  -210.18879427
       valence  contribution :  s =    -0.65645717 p =    -0.27861844
                                d =    -0.01452509 f =    -0.00373133
                                ns      0.00034367
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374554 p = -1151.83636639
                                d =  -210.38814481
       valence  contribution :  s =    -0.67017281 p =    -0.29317285
                                d =    -0.01474034 f =    -0.00377680
                                ns      0.00038343
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99164816
                                   band energy per atom :   -1.9344677199

     coulomb  contribution :   0   5305.23361485  1     -0.01265538
                               2      0.00172372  3      0.00091736
                               4      0.00688864  5     -0.00146330
                               6      0.00004503
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.22907092

     ex.-cor. contribution :   0   -339.85482818  1      0.01210843
                               2     -0.00349906  3     -0.01367807
                               4     -0.01411909  5      0.00203538
                               6     -0.00003114
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87201174

     eff. pot. contribution     : -10308.43712220
     total double counting contribution                 :  -5343.08006302

   Total contribution of atom 18 =-13581.07171117
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374650 p = -1151.65638291
                                d =  -210.18879427
       valence  contribution :  s =    -0.65645717 p =    -0.27861844
                                d =    -0.01452509 f =    -0.00373133
                                ns      0.00034367
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374554 p = -1151.83636639
                                d =  -210.38814481
       valence  contribution :  s =    -0.67017281 p =    -0.29317285
                                d =    -0.01474034 f =    -0.00377680
                                ns      0.00038343
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99164816
                                   band energy per atom :   -1.9344677199

     coulomb  contribution :   0   5305.23361490  1     -0.01265538
                               2      0.00172372  3      0.00091736
                               4      0.00688864  5     -0.00146330
                               6      0.00004503
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.22907097

     ex.-cor. contribution :   0   -339.85482818  1      0.01210843
                               2     -0.00349906  3     -0.01367807
                               4     -0.01411909  5      0.00203538
                               6     -0.00003114
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87201174

     eff. pot. contribution     : -10308.43712224
     total double counting contribution                 :  -5343.08006301

   Total contribution of atom 19 =-13581.07171117
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374650 p = -1151.65638291
                                d =  -210.18879427
       valence  contribution :  s =    -0.65645717 p =    -0.27861844
                                d =    -0.01452509 f =    -0.00373133
                                ns      0.00034367
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374554 p = -1151.83636639
                                d =  -210.38814481
       valence  contribution :  s =    -0.67017281 p =    -0.29317285
                                d =    -0.01474034 f =    -0.00377680
                                ns      0.00038343
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99164816
                                   band energy per atom :   -1.9344677201

     coulomb  contribution :   0   5305.23361503  1     -0.01265538
                               2      0.00172372  3      0.00091736
                               4      0.00688864  5     -0.00146330
                               6      0.00004503
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.22907110

     ex.-cor. contribution :   0   -339.85482819  1      0.01210843
                               2     -0.00349906  3     -0.01367807
                               4     -0.01411909  5      0.00203538
                               6     -0.00003114
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87201174

     eff. pot. contribution     : -10308.43712237
     total double counting contribution                 :  -5343.08006301

   Total contribution of atom 20 =-13581.07171117
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.95374650 p = -1151.65638291
                                d =  -210.18879427
       valence  contribution :  s =    -0.65645717 p =    -0.27861844
                                d =    -0.01452509 f =    -0.00373133
                                ns      0.00034367
     single particle energies  spin  up    
         core   contribution :  s = -2756.03374554 p = -1151.83636639
                                d =  -210.38814481
       valence  contribution :  s =    -0.67017281 p =    -0.29317285
                                d =    -0.01474034 f =    -0.00377680
                                ns      0.00038343
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.99164816
                                   band energy per atom :   -1.9344677201

     coulomb  contribution :   0   5305.23361500  1     -0.01265538
                               2      0.00172372  3      0.00091736
                               4      0.00688864  5     -0.00146330
                               6      0.00004503
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.22907107

     ex.-cor. contribution :   0   -339.85482819  1      0.01210843
                               2     -0.00349906  3     -0.01367807
                               4     -0.01411909  5      0.00203538
                               6     -0.00003114
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87201174

     eff. pot. contribution     : -10308.43712234
     total double counting contribution                 :  -5343.08006302

   Total contribution of atom 21 =-13581.07171117
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.90291326 p = -1151.53845956
                                d =  -210.04641026
       valence  contribution :  s =    -0.63918919 p =    -0.25820621
                                d =    -0.01271758 f =    -0.00339791
                                ns     -0.00992484
     single particle energies  spin  up    
         core   contribution :  s = -2755.98291273 p = -1151.71844935
                                d =  -210.24591578
       valence  contribution :  s =    -0.65345607 p =    -0.27334484
                                d =    -0.01292411 f =    -0.00344416
                                ns     -0.01001317
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.31167902
                                   band energy per atom :   -1.8766180763

     coulomb  contribution :   0   5317.29803904  1      0.00016568
                               2      0.00612815  3     -0.00002047
                               4      0.00458436  5     -0.00000301
                               6     -0.00012891
     --------------------------------------------------------------------
     tot. coulomb contribution :   5317.30876484

     ex.-cor. contribution :   0   -339.88376787  1     -0.00000083
                               2     -0.01016810  3     -0.00000080
                               4     -0.04129698  5     -0.00000002
                               6      0.00016342
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.93507119

     eff. pot. contribution     : -10321.21987876
     total double counting contribution                 :  -5343.84618510

   Total contribution of atom 22 =-13581.15786413
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.90291326 p = -1151.53845956
                                d =  -210.04641026
       valence  contribution :  s =    -0.63918919 p =    -0.25820621
                                d =    -0.01271758 f =    -0.00339791
                                ns     -0.00992484
     single particle energies  spin  up    
         core   contribution :  s = -2755.98291273 p = -1151.71844935
                                d =  -210.24591578
       valence  contribution :  s =    -0.65345607 p =    -0.27334484
                                d =    -0.01292411 f =    -0.00344416
                                ns     -0.01001317
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.31167902
                                   band energy per atom :   -1.8766180765

     coulomb  contribution :   0   5317.29803918  1      0.00016568
                               2      0.00612815  3     -0.00002047
                               4      0.00458436  5     -0.00000301
                               6     -0.00012891
     --------------------------------------------------------------------
     tot. coulomb contribution :   5317.30876499

     ex.-cor. contribution :   0   -339.88376788  1     -0.00000083
                               2     -0.01016810  3     -0.00000080
                               4     -0.04129698  5     -0.00000002
                               6      0.00016342
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.93507119

     eff. pot. contribution     : -10321.21987890
     total double counting contribution                 :  -5343.84618510

   Total contribution of atom 23 =-13581.15786412
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.90291326 p = -1151.53845956
                                d =  -210.04641026
       valence  contribution :  s =    -0.63918919 p =    -0.25820621
                                d =    -0.01271758 f =    -0.00339791
                                ns     -0.00992484
     single particle energies  spin  up    
         core   contribution :  s = -2755.98291273 p = -1151.71844935
                                d =  -210.24591578
       valence  contribution :  s =    -0.65345607 p =    -0.27334484
                                d =    -0.01292411 f =    -0.00344416
                                ns     -0.01001317
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.31167902
                                   band energy per atom :   -1.8766180762

     coulomb  contribution :   0   5317.29803929  1      0.00016568
                               2      0.00612815  3     -0.00002047
                               4      0.00458436  5     -0.00000301
                               6     -0.00012891
     --------------------------------------------------------------------
     tot. coulomb contribution :   5317.30876509

     ex.-cor. contribution :   0   -339.88376788  1     -0.00000083
                               2     -0.01016810  3     -0.00000080
                               4     -0.04129698  5     -0.00000002
                               6      0.00016342
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.93507120

     eff. pot. contribution     : -10321.21987900
     total double counting contribution                 :  -5343.84618510

   Total contribution of atom 24 =-13581.15786412
                                   sum of band energies :  -35.8666119960
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237483.14658822
                                eV  : -3231148.19584996
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:38:00:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            2
25.03.2020 19:38:00:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is  -1.050436605116704E-010  3.530006071754612E-007
  6.191776377089653E-002
 magnetic moment2 is  -1.050443512765945E-010  3.530006087753191E-007
 -1.662476879054104E-002
 magnetic moment is   9.835143075930149E-012  2.260112214770998E-004
  1.697899685401671E-002
 magnetic moment2 is   9.835143075930149E-012  2.260112214770998E-004
 -1.413155977784214E-003
 magnetic moment is   1.960191230054584E-004 -1.129118179191230E-004
  1.697970727421549E-002
 magnetic moment2 is   1.960191230054584E-004 -1.129118179191230E-004
 -1.412444321393397E-003
 magnetic moment is  -1.960191031458167E-004 -1.129118155730608E-004
  1.697970818438999E-002
 magnetic moment2 is  -1.960191031458167E-004 -1.129118155730608E-004
 -1.412443433001259E-003
 magnetic moment is  -3.797924044450973E-011 -3.934715013684102E-004
  1.580582328852043E-002
 magnetic moment2 is  -3.797924044450973E-011 -3.934715013684102E-004
 -4.080051473604948E-003
 magnetic moment is  -3.408472874660060E-004  1.967745618668528E-004
  1.580342145440361E-002
 magnetic moment2 is  -3.408472874660060E-004  1.967745618668528E-004
 -4.082452594210022E-003
 magnetic moment is   3.408473186471869E-004  1.967746041637378E-004
  1.580342214953923E-002
 magnetic moment2 is   3.408473186471869E-004  1.967746041637378E-004
 -4.082451905996473E-003
 magnetic moment is  -1.738022577248440E-011  5.672687166579697E-008
  1.493000983774051E-002
 magnetic moment2 is  -1.738022577248440E-011  5.672687166579697E-008
 -4.983454713818086E-003
 magnetic moment is  -2.701318739550297E-011 -2.572042756795515E-004
  5.796552883223605E-002
 magnetic moment2 is  -2.701582895245228E-011 -2.574007896797986E-004
 -1.960206364763961E-002
 magnetic moment is  -2.231266925903345E-004  1.288040657977807E-004
  5.795930338293931E-002
 magnetic moment2 is  -2.232968786947969E-004  1.289023200803750E-004
 -1.960828830204958E-002
 magnetic moment is   2.231266286649642E-004  1.288039912305232E-004
  5.795930674523264E-002
 magnetic moment2 is   2.232968147796476E-004  1.289022455062714E-004
 -1.960828495690184E-002
 magnetic moment is   2.794230189634642E-012  1.728474531169616E-008
  1.588406643156659E-002
 magnetic moment2 is   2.794230189634642E-012  1.728474531169616E-008
 -2.835183222147097E-003
 magnetic moment is   4.851416095024916E-011  3.198113223163795E-004
  7.647945403266254E-002
 magnetic moment2 is   4.851366256961552E-011  3.198551636735285E-004
  4.655526586354944E-003
 magnetic moment is   2.771113310006918E-004 -1.600119385445122E-004
  7.647817911807797E-002
 magnetic moment2 is   2.771494334329056E-004 -1.600345426041436E-004
  4.654249687505774E-003
 magnetic moment is  -2.771113469406820E-004 -1.600119953515655E-004
  7.647817955370506E-002
 magnetic moment2 is  -2.771494493763778E-004 -1.600345994111812E-004
  4.654250121881420E-003
 magnetic moment is  -2.912805024287616E-004  2.978080030179987E-004
  6.702289525350391E-002
 magnetic moment2 is  -2.912697768710550E-004  2.977881782672970E-004
 -4.712675478989639E-003
 magnetic moment is   1.122955534961537E-004 -4.011866224293018E-004
  6.702055707389043E-002
 magnetic moment2 is   1.122839575890848E-004 -4.011673336831592E-004
 -4.715021637234973E-003
 magnetic moment is  -1.122955308796844E-004 -4.011865610750990E-004
  6.702055739797874E-002
 magnetic moment2 is  -1.122839349724536E-004 -4.011672723296379E-004
 -4.715021311721079E-003
 magnetic moment is   2.912805035254473E-004  2.978079654289739E-004
  6.702289533085004E-002
 magnetic moment2 is   2.912697779660372E-004  2.977881406796484E-004
 -4.712675397853694E-003
 magnetic moment is   4.034546474926647E-004  1.033314662971132E-004
  6.702651676745131E-002
 magnetic moment2 is   4.034318734085634E-004  1.033319567741755E-004
 -4.709057244583384E-003
 magnetic moment is  -4.034546207115522E-004  1.033314597091796E-004
  6.702651699835505E-002
 magnetic moment2 is  -4.034318466279531E-004  1.033319501853897E-004
 -4.709057016207371E-003
 magnetic moment is  -1.299401701892306E-011 -1.267788998181436E-004
  7.034000855092204E-002
 magnetic moment2 is  -1.300797941515791E-011 -1.267799700018000E-004
 -6.609377761478102E-003
 magnetic moment is  -1.093639353162194E-004  6.326592081775649E-005
  7.033830855973866E-002
 magnetic moment2 is  -1.093635448669994E-004  6.326569539176250E-005
 -6.611094496316500E-003
 magnetic moment is   1.093639785346080E-004  6.326594190732285E-005
  7.033830832237875E-002
 magnetic moment2 is   1.093635880853238E-004  6.326571648140589E-005
 -6.611094728644323E-003
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.50234958  0.51234224    0.0100
          p =  0.19249834  0.21518452    0.0227
          d =  4.50106808  4.53136986    0.0303
          f =  0.01080587  0.01120143    0.0004
          ns  -0.01852919 -0.01998762   -0.0015
          ------------------------------------
          TOT  5.18819267  5.25011043    0.0619
                          10.43830310
   ========================== 
      2   s =  0.25371899  0.26144637    0.0077
          p =  0.33208037  0.33973323    0.0077
          d =  0.17678332  0.18084006    0.0041
          f =  0.06801050  0.06991542    0.0019
          ns  -0.13306990 -0.13743281   -0.0044
          ------------------------------------
          TOT  0.69752328  0.71450228    0.0170
                           1.41202556
   ========================== 
      3   s =  0.25368693  0.26141634    0.0077
          p =  0.33199823  0.33965176    0.0077
          d =  0.17672909  0.18078411    0.0041
          f =  0.06799005  0.06989367    0.0019
          ns  -0.13299989 -0.13736176   -0.0044
          ------------------------------------
          TOT  0.69740441  0.71438412    0.0170
                           1.41178852
   ========================== 
      4   s =  0.25368693  0.26141634    0.0077
          p =  0.33199823  0.33965176    0.0077
          d =  0.17672909  0.18078411    0.0041
          f =  0.06799004  0.06989366    0.0019
          ns  -0.13299989 -0.13736176   -0.0044
          ------------------------------------
          TOT  0.69740440  0.71438411    0.0170
                           1.41178851
   ========================== 
      5   s =  0.16884573  0.17529005    0.0064
          p =  0.22086362  0.22696811    0.0061
          d =  0.11301973  0.11606569    0.0030
          f =  0.03909722  0.04027416    0.0012
          ns  -0.02608856 -0.02705444   -0.0010
          ------------------------------------
          TOT  0.51573774  0.53154356    0.0158
                           1.04728130
   ========================== 
      6   s =  0.16883097  0.17527428    0.0064
          p =  0.22086215  0.22696530    0.0061
          d =  0.11302959  0.11607530    0.0030
          f =  0.03910014  0.04027718    0.0012
          ns  -0.02608910 -0.02705489   -0.0010
          ------------------------------------
          TOT  0.51573375  0.53153717    0.0158
                           1.04727092
   ========================== 
      7   s =  0.16883097  0.17527428    0.0064
          p =  0.22086215  0.22696530    0.0061
          d =  0.11302959  0.11607530    0.0030
          f =  0.03910014  0.04027718    0.0012
          ns  -0.02608910 -0.02705489   -0.0010
          ------------------------------------
          TOT  0.51573375  0.53153717    0.0158
                           1.04727093
   ========================== 
      8   s =  0.21776252  0.22360767    0.0058
          p =  0.28903386  0.29466625    0.0056
          d =  0.14854570  0.15219387    0.0036
          f =  0.04308142  0.04510509    0.0020
          ns  -0.04678496 -0.04900433   -0.0022
          ------------------------------------
          TOT  0.65163854  0.66656855    0.0149
                           1.31820709
   ========================== 
      9   s =  0.82879397  0.83830843    0.0095
          p =  0.82488954  0.87127977    0.0464
          d =  0.08700208  0.08878451    0.0018
          f =  0.02094407  0.02124221    0.0003
          ns   0.01080702  0.01078729   -0.0000
          ------------------------------------
          TOT  1.77243668  1.83040221    0.0580
                           3.60283889
   ========================== 
     10   s =  0.82879823  0.83831346    0.0095
          p =  0.82482102  0.87120347    0.0464
          d =  0.08700410  0.08878696    0.0018
          f =  0.02094579  0.02124397    0.0003
          ns   0.01080989  0.01079047   -0.0000
          ------------------------------------
          TOT  1.77237902  1.83033833    0.0580
                           3.60271735
   ========================== 
     11   s =  0.82879823  0.83831346    0.0095
          p =  0.82482102  0.87120347    0.0464
          d =  0.08700410  0.08878696    0.0018
          f =  0.02094579  0.02124397    0.0003
          ns   0.01080989  0.01079047   -0.0000
          ------------------------------------
          TOT  1.77237902  1.83033833    0.0580
                           3.60271735
   ========================== 
     12   s =  0.23983578  0.24660055    0.0068
          p =  0.31548004  0.32253012    0.0071
          d =  0.16286830  0.16717800    0.0043
          f =  0.05305296  0.05512697    0.0021
          ns  -0.11612756 -0.12044206   -0.0043
          ------------------------------------
          TOT  0.65510952  0.67099359    0.0159
                           1.32610311
   ========================== 
     13   s =  0.85086524  0.85625738    0.0054
          p =  1.30138519  1.37255790    0.0712
          d =  0.04999063  0.05030384    0.0003
          f =  0.01186519  0.01189621    0.0000
          ns   0.00281084  0.00238121   -0.0004
          ------------------------------------
          TOT  2.21691709  2.29339655    0.0765
                           4.51031364
   ========================== 
     14   s =  0.85086300  0.85625580    0.0054
          p =  1.30135540  1.37252598    0.0712
          d =  0.04999104  0.05030439    0.0003
          f =  0.01186568  0.01189664    0.0000
          ns   0.00281352  0.00238402   -0.0004
          ------------------------------------
          TOT  2.21688864  2.29336682    0.0765
                           4.51025546
   ========================== 
     15   s =  0.85086300  0.85625580    0.0054
          p =  1.30135540  1.37252598    0.0712
          d =  0.04999104  0.05030439    0.0003
          f =  0.01186568  0.01189664    0.0000
          ns   0.00281352  0.00238402   -0.0004
          ------------------------------------
          TOT  2.21688864  2.29336682    0.0765
                           4.51025546
   ========================== 
     16   s =  0.85163448  0.85716294    0.0055
          p =  1.32183775  1.38291659    0.0611
          d =  0.05022933  0.05086949    0.0006
          f =  0.01183895  0.01201365    0.0002
          ns   0.00329066  0.00289139   -0.0004
          ------------------------------------
          TOT  2.23883116  2.30585406    0.0670
                           4.54468523
   ========================== 
     17   s =  0.85162847  0.85715710    0.0055
          p =  1.32185844  1.38293448    0.0611
          d =  0.05022983  0.05087021    0.0006
          f =  0.01183823  0.01201306    0.0002
          ns   0.00329232  0.00289298   -0.0004
          ------------------------------------
          TOT  2.23884727  2.30586783    0.0670
                           4.54471511
   ========================== 
     18   s =  0.85162847  0.85715710    0.0055
          p =  1.32185844  1.38293449    0.0611
          d =  0.05022983  0.05087021    0.0006
          f =  0.01183823  0.01201306    0.0002
          ns   0.00329232  0.00289298   -0.0004
          ------------------------------------
          TOT  2.23884728  2.30586783    0.0670
                           4.54471511
   ========================== 
     19   s =  0.85163448  0.85716294    0.0055
          p =  1.32183776  1.38291660    0.0611
          d =  0.05022933  0.05086949    0.0006
          f =  0.01183895  0.01201365    0.0002
          ns   0.00329066  0.00289139   -0.0004
          ------------------------------------
          TOT  2.23883117  2.30585406    0.0670
                           4.54468523
   ========================== 
     20   s =  0.85162826  0.85715730    0.0055
          p =  1.32184685  1.38292868    0.0611
          d =  0.05023195  0.05087219    0.0006
          f =  0.01183903  0.01201369    0.0002
          ns   0.00329296  0.00289371   -0.0004
          ------------------------------------
          TOT  2.23883905  2.30586557    0.0670
                           4.54470462
   ========================== 
     21   s =  0.85162826  0.85715730    0.0055
          p =  1.32184685  1.38292868    0.0611
          d =  0.05023195  0.05087219    0.0006
          f =  0.01183903  0.01201369    0.0002
          ns   0.00329296  0.00289371   -0.0004
          ------------------------------------
          TOT  2.23883905  2.30586557    0.0670
                           4.54470462
   ========================== 
     22   s =  0.84317922  0.84944605    0.0063
          p =  1.35917348  1.42296008    0.0638
          d =  0.04800920  0.04873426    0.0007
          f =  0.01218446  0.01225153    0.0001
          ns   0.02287558  0.02237002   -0.0005
          ------------------------------------
          TOT  2.28542193  2.35576194    0.0703
                           4.64118387
   ========================== 
     23   s =  0.84318100  0.84944763    0.0063
          p =  1.35917783  1.42296276    0.0638
          d =  0.04800964  0.04873468    0.0007
          f =  0.01218454  0.01225183    0.0001
          ns   0.02287587  0.02237027   -0.0005
          ------------------------------------
          TOT  2.28542887  2.35576718    0.0703
                           4.64119605
   ========================== 
     24   s =  0.84318100  0.84944763    0.0063
          p =  1.35917783  1.42296277    0.0638
          d =  0.04800964  0.04873468    0.0007
          f =  0.01218454  0.01225183    0.0001
          ns   0.02287587  0.02237027   -0.0005
          ------------------------------------
          TOT  2.28542887  2.35576718    0.0703
                           4.64119605
 
############################################
 
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   78.438300
       spin moment in wigner seitz cell =    0.061918
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.438300
                              spin magnetic moment =     0.061918
 
  Atom    2 charge in wigner seitz cell =    1.412023
       spin moment in wigner seitz cell =    0.016979
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.412023
                              spin magnetic moment =     0.016979
 
  Atom    3 charge in wigner seitz cell =    1.411786
       spin moment in wigner seitz cell =    0.016980
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.411786
                              spin magnetic moment =     0.016980
 
  Atom    4 charge in wigner seitz cell =    1.411786
       spin moment in wigner seitz cell =    0.016980
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.411786
                              spin magnetic moment =     0.016980
 
  Atom    5 charge in wigner seitz cell =    1.047280
       spin moment in wigner seitz cell =    0.015806
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.047280
                              spin magnetic moment =     0.015806
 
  Atom    6 charge in wigner seitz cell =    1.047270
       spin moment in wigner seitz cell =    0.015803
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.047270
                              spin magnetic moment =     0.015803
 
  Atom    7 charge in wigner seitz cell =    1.047270
       spin moment in wigner seitz cell =    0.015803
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.047270
                              spin magnetic moment =     0.015803
 
  Atom    8 charge in wigner seitz cell =    1.318203
       spin moment in wigner seitz cell =    0.014930
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.318203
                              spin magnetic moment =     0.014930
 
  Atom    9 charge in wigner seitz cell =   49.602836
       spin moment in wigner seitz cell =    0.057966
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.397164
                              spin magnetic moment =     0.057966
 
  Atom   10 charge in wigner seitz cell =   49.602715
       spin moment in wigner seitz cell =    0.057959
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.397285
                              spin magnetic moment =     0.057959
 
  Atom   11 charge in wigner seitz cell =   49.602715
       spin moment in wigner seitz cell =    0.057959
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.397285
                              spin magnetic moment =     0.057959
 
  Atom   12 charge in wigner seitz cell =    1.326101
       spin moment in wigner seitz cell =    0.015884
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =     1.326101
                              spin magnetic moment =     0.015884
 
  Atom   13 charge in wigner seitz cell =   50.510311
       spin moment in wigner seitz cell =    0.076479
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.489689
                              spin magnetic moment =     0.076479
 
  Atom   14 charge in wigner seitz cell =   50.510253
       spin moment in wigner seitz cell =    0.076478
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.489747
                              spin magnetic moment =     0.076478
 
  Atom   15 charge in wigner seitz cell =   50.510253
       spin moment in wigner seitz cell =    0.076478
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.489747
                              spin magnetic moment =     0.076478
 
  Atom   16 charge in wigner seitz cell =   50.544683
       spin moment in wigner seitz cell =    0.067023
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.455317
                              spin magnetic moment =     0.067023
 
  Atom   17 charge in wigner seitz cell =   50.544713
       spin moment in wigner seitz cell =    0.067021
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.455287
                              spin magnetic moment =     0.067021
 
  Atom   18 charge in wigner seitz cell =   50.544713
       spin moment in wigner seitz cell =    0.067021
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.455287
                              spin magnetic moment =     0.067021
 
  Atom   19 charge in wigner seitz cell =   50.544683
       spin moment in wigner seitz cell =    0.067023
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.455317
                              spin magnetic moment =     0.067023
 
  Atom   20 charge in wigner seitz cell =   50.544702
       spin moment in wigner seitz cell =    0.067027
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.455298
                              spin magnetic moment =     0.067027
 
  Atom   21 charge in wigner seitz cell =   50.544702
       spin moment in wigner seitz cell =    0.067027
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.455298
                              spin magnetic moment =     0.067027
 
  Atom   22 charge in wigner seitz cell =   50.641182
       spin moment in wigner seitz cell =    0.070340
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.358818
                              spin magnetic moment =     0.070340
 
  Atom   23 charge in wigner seitz cell =   50.641194
       spin moment in wigner seitz cell =    0.070338
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.358806
                              spin magnetic moment =     0.070338
 
  Atom   24 charge in wigner seitz cell =   50.641194
       spin moment in wigner seitz cell =    0.070338
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   2 charge neutrality in unit cell =    -1.358806
                              spin magnetic moment =     0.070338
 
                    TOTAL mag. moment in unit cell =     1.207559
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:41:32:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:32:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.6248D+00  ,  v+ - v- =  1.0123D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.3849D-01  ,  v+ - v- =  3.9014D-04
      rms-error for atom  2 :v+ + v- =  4.9902D-01  ,  v+ - v- =  9.8232D-03
      rms-error non spherical contribution for atom   2 :v+ + v- =  2.6195D-01  ,  v+ - v- =  3.7313D-04
      rms-error for atom  3 :v+ + v- =  4.9889D-01  ,  v+ - v- =  9.8230D-03
      rms-error non spherical contribution for atom   3 :v+ + v- =  2.6201D-01  ,  v+ - v- =  3.7335D-04
      rms-error for atom  4 :v+ + v- =  4.9889D-01  ,  v+ - v- =  9.8230D-03
      rms-error non spherical contribution for atom   4 :v+ + v- =  2.6201D-01  ,  v+ - v- =  3.7335D-04
      rms-error for atom  5 :v+ + v- =  4.4738D-01  ,  v+ - v- =  1.1663D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  2.2414D-01  ,  v+ - v- =  2.4957D-04
      rms-error for atom  6 :v+ + v- =  4.4744D-01  ,  v+ - v- =  1.1664D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  2.2419D-01  ,  v+ - v- =  2.4966D-04
      rms-error for atom  7 :v+ + v- =  4.4744D-01  ,  v+ - v- =  1.1664D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  2.2419D-01  ,  v+ - v- =  2.4966D-04
      rms-error for atom  8 :v+ + v- =  4.2197D-01  ,  v+ - v- =  1.0880D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  2.4726D-01  ,  v+ - v- =  3.7819D-04
      rms-error for atom  9 :v+ + v- =  3.9977D-01  ,  v+ - v- =  1.1456D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  2.0777D-01  ,  v+ - v- =  5.0278D-04
      rms-error for atom 10 :v+ + v- =  3.9976D-01  ,  v+ - v- =  1.1456D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  2.0780D-01  ,  v+ - v- =  5.0267D-04
      rms-error for atom 11 :v+ + v- =  3.9976D-01  ,  v+ - v- =  1.1456D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  2.0780D-01  ,  v+ - v- =  5.0267D-04
      rms-error for atom 12 :v+ + v- =  3.2992D-01  ,  v+ - v- =  9.8315D-03
      rms-error non spherical contribution for atom  12 :v+ + v- =  2.0112D-01  ,  v+ - v- =  4.1320D-04
      rms-error for atom 13 :v+ + v- =  2.5242D-01  ,  v+ - v- =  9.4468D-03
      rms-error non spherical contribution for atom  13 :v+ + v- =  1.5218D-01  ,  v+ - v- =  3.0907D-04
      rms-error for atom 14 :v+ + v- =  2.5234D-01  ,  v+ - v- =  9.4468D-03
      rms-error non spherical contribution for atom  14 :v+ + v- =  1.5218D-01  ,  v+ - v- =  3.0909D-04
      rms-error for atom 15 :v+ + v- =  2.5234D-01  ,  v+ - v- =  9.4468D-03
      rms-error non spherical contribution for atom  15 :v+ + v- =  1.5218D-01  ,  v+ - v- =  3.0909D-04
      rms-error for atom 16 :v+ + v- =  1.9556D-01  ,  v+ - v- =  9.5868D-03
      rms-error non spherical contribution for atom  16 :v+ + v- =  8.7325D-02  ,  v+ - v- =  3.2659D-04
      rms-error for atom 17 :v+ + v- =  1.9563D-01  ,  v+ - v- =  9.5868D-03
      rms-error non spherical contribution for atom  17 :v+ + v- =  8.7380D-02  ,  v+ - v- =  3.2621D-04
      rms-error for atom 18 :v+ + v- =  1.9563D-01  ,  v+ - v- =  9.5868D-03
      rms-error non spherical contribution for atom  18 :v+ + v- =  8.7380D-02  ,  v+ - v- =  3.2621D-04
      rms-error for atom 19 :v+ + v- =  1.9556D-01  ,  v+ - v- =  9.5868D-03
      rms-error non spherical contribution for atom  19 :v+ + v- =  8.7325D-02  ,  v+ - v- =  3.2659D-04
      rms-error for atom 20 :v+ + v- =  1.9556D-01  ,  v+ - v- =  9.5867D-03
      rms-error non spherical contribution for atom  20 :v+ + v- =  8.7347D-02  ,  v+ - v- =  3.2688D-04
      rms-error for atom 21 :v+ + v- =  1.9556D-01  ,  v+ - v- =  9.5867D-03
      rms-error non spherical contribution for atom  21 :v+ + v- =  8.7347D-02  ,  v+ - v- =  3.2688D-04
      rms-error for atom 22 :v+ + v- =  1.8517D-01  ,  v+ - v- =  1.0434D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  8.9388D-02  ,  v+ - v- =  2.2717D-04
      rms-error for atom 23 :v+ + v- =  1.8518D-01  ,  v+ - v- =  1.0434D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  8.9441D-02  ,  v+ - v- =  2.2721D-04
      rms-error for atom 24 :v+ + v- =  1.8518D-01  ,  v+ - v- =  1.0434D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  8.9441D-02  ,  v+ - v- =  2.2721D-04
      ITERATION   2 average rms-error : v+ + v- =  5.0097D-01
                                        v+ - v- =  1.0323D-02
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  5.200245322354090E-006
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  8.152961694672616E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  2.482147736772662E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  1.193517306275877E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.878612726705985E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  8.724596303231508E-007
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  1.239683782613952E-010
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  1.271882450696743E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  1.122523377441112E-010
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  7.320647997612088E-007
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  8.499519887116382E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  2.022559461392416E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  9.567452843441630E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  4.463516646284152E-007
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  2.009185385134494E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  1.288480869256283E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.802831911196225E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  9.309196448068797E-007
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  5.737969596491834E-007
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.875342111311276E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.545135619199181E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  2.181370504974853E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.392823568889076E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  4.083152009524474E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.971472737355344E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  6.058104400001906E-007
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.285033342745661E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.202034262740801E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  2.797648723962304E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  1.194671784865826E-010
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  3.127501525614837E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  3.565428325500636E-007
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  1.017513004376647E-010
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  2.949784381170441E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.321871600060462E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  4.661044760557634E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.251353853511522E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  4.497688915604934E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  7.054385533543637E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  6.665538618965774E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  1.222522866644882E-010
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.073176353654900E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  7.147390500449309E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.025289530939456E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.198564542563770E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.964523121577934E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.569585755936293E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.439436026590821E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.844205346455894E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  2.729911617961522E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.322194824762651E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  8.743252930365593E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.109632711419546E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.061844077364338E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  2.769011455479796E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.306804792298452E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.638299175171680E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.199456889191427E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  1.882299727251195E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.333432444686671E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.911092801082401E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  3.064852604540222E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  7.045367494765383E-007
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.995862308542292E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  3.457400911032883E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  8.818330523168893E-008
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  3.000521806029408E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.365326599774792E-003
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  2.364929645431065E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  2.587615676294697E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  8.286653517675867E-008
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  1.458111156912400E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  1.384625165752850E-003
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  1.630535970643748E-003
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  2.125695198277613E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  9.411475591882286E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  4.723803383619708E-008
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  1.977460588906564E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  2.398172137091967E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  3.064852408274675E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  7.042121440618632E-007
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.995862267689330E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  3.457400928124232E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  8.759757099265218E-008
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  3.000521726951567E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.365326548871383E-003
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  2.364929614664540E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  2.587615578995195E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  8.284315003072378E-008
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  1.457066998692208E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  1.384625160762166E-003
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  1.630535951752848E-003
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  2.125695121140947E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  9.411475315479202E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  4.719981613599524E-008
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  1.977460511878756E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  2.398172178646369E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  6.467029326227596E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  5.915879272245099E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  6.893882349776884E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  3.278529571531145E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  2.052279147587206E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  3.094547143650711E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  6.207383266328508E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.968738833226896E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.272448195590545E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.137661472971217E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  2.871003525157950E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.408590581819134E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  2.043289176319127E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.645142554308326E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  2.647482249423652E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  6.814051678191930E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  3.031258033277640E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  5.364675923810157E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  9.604705859628844E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  9.629496521852062E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  4.169702075501209E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  5.294735205985143E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  5.996156376937563E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.258458898563558E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  1.014816968295242E-010
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  7.916413300501764E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  3.780356082324338E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  2.972284442154410E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.518003171209729E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  2.386463619184512E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  2.048099038541090E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  3.278630802028541E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  1.745094950287793E-003
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  3.094905346137387E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  2.675843018618433E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  1.562999151562175E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  2.292393717635972E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.769077750674887E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  1.435373897681591E-003
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  2.485853781792783E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  1.021364959607290E-003
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  9.834354109658347E-007
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  1.323526927252765E-003
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.992064974138846E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  3.031412304758671E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  9.605153407545565E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.797914348662705E-003
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  3.606921808514498E-007
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  1.777651898661857E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.865098172385942E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  2.066708520196930E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  2.573523062893889E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  3.957107170229531E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  6.858728869927703E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  1.486056014715310E-003
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  4.685646416680741E-008
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  1.193132127550456E-003
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  3.230461652061769E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  3.278630714613537E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  1.745094913690649E-003
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  3.094905252174542E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  2.675842949966617E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  1.562912232259556E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  2.292393794043987E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.769077761585473E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  1.435373871565561E-003
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  2.485853888899426E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  1.021364963367317E-003
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  9.841319355122524E-007
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  1.323526916739881E-003
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.992064923011784E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  3.031412258329493E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  9.605153214219434E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.797914300280874E-003
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  3.606763954663261E-007
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  1.778995275879147E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.865098148286851E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  2.066708739706181E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  2.573523086961522E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  3.957106854196538E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  6.858730221355607E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  1.486055999677937E-003
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  4.683572676220652E-008
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  1.193132095796246E-003
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  3.230461884153232E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  6.099159212076483E-006
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.108258476737457E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.805269390016837E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  1.819470249823483E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  9.386112479196202E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  1.384195654825999E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.016273311815457E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  1.674185531892550E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.371093148187533E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  1.064229373774498E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.234660018810225E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.544025517225274E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  7.021956897199821E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  2.095431563131788E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.923499987637639E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  7.999150630261918E-007
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.759652395373850E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  2.768554100701014E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  5.087823477993713E-007
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  9.029914710911716E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.948818657481000E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  3.912029665967953E-007
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.304610212297654E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  3.432897574279035E-007
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.230582397015633E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  9.115273611293164E-007
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.876591650166184E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.170695358980499E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  2.067761032260689E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.099207810911942E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  6.397753280085627E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  1.810937852920877E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.641306981679474E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  4.469114082177657E-007
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.445263205526707E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  5.917333086208507E-007
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.364006097006786E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  3.691152033254167E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  2.265892123878407E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  3.540628968611570E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  1.269815874364730E-010
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  2.446554087307862E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.322248180321854E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  6.449648240660330E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  7.584300627924957E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.411658688572404E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  2.328620205868517E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  3.588487678679727E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.665350719114796E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  5.521554468875658E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.621169221020810E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  2.252954757507223E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  1.394789623272495E-010
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  4.771001080949012E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  3.296961543986904E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  2.426702063703471E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  6.827780244641145E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  5.300499719756805E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.011140831787750E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  7.281097088009860E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.154841661994394E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  4.777278317742557E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  2.716876507909229E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.515170229626332E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  2.013627462670036E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.606528265393963E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  1.249406532298772E-003
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  1.924744516509084E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.223394240600037E-003
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  2.118234651060935E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  1.954709705481093E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  1.404057149831402E-003
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  1.441855842664101E-003
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  1.164059669617686E-003
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  2.016594250051894E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  8.325170143884829E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  4.185729641666364E-007
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  8.103805706709174E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.125540325881680E-003
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  2.101909322372715E-003
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  2.505659664617910E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.212899042869759E-003
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  4.689736901766129E-007
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  2.754043266698677E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  1.951289855230959E-003
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  1.114484579411065E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  3.641922984864186E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  1.082094007416495E-003
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  1.743536490841710E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  1.358244535686187E-003
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  2.352894864014619E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  1.006824250802175E-003
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  1.334000080831375E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  6.245469711310250E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  6.303088154122973E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.223394167212288E-003
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  2.118234608422546E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  1.954775437064828E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  1.404057147703498E-003
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  1.441855883550437E-003
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  1.164059623524575E-003
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  2.016594375557070E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  8.325169899561092E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  4.187273340235523E-007
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  8.103805387546209E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.125540297823573E-003
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  2.101909363491979E-003
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  2.505659604743972E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.212899025430703E-003
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  4.689983742041973E-007
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  2.754043193331102E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  1.951289892219383E-003
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  1.114856220225958E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  3.641923080696348E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  1.082094056684248E-003
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  1.743536398500177E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  1.358244509590218E-003
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  2.352894856472324E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  1.006824239282755E-003
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  1.334743599149949E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  6.245469479716707E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  6.303087029354841E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  3.394079160474249E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.272274255271832E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.723450602436959E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  2.769678101941079E-007
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.915127751937726E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  3.714810109667386E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.743035696389944E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  6.591009383246694E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  2.061167918095514E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  4.800333986672571E-007
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.506721067348407E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  3.022367255865870E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.037207643661437E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  2.366242765806165E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.883356976241912E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  5.041901972090152E-007
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.203077963132776E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  6.106778254656199E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  5.181336145425885E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.906566802325439E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.130508703735189E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  2.941818674497396E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  5.945337451577089E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.808876464397396E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.241027271540405E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  8.288605756508839E-007
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.821477115753352E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.292805160053358E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  1.305304325059641E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.885152633638015E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.537370381027366E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  2.022795444597256E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.212732362837044E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  3.479845368033776E-007
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.027521522664841E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.899761932941517E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.367896733266304E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.843670821696238E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  1.723262553347907E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.264333518648067E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.682862109287458E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  8.889841368758573E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.279792084204840E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  1.029415323187660E-010
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.441507885490082E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.930928062039983E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  2.837075536019184E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.430865327446832E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  5.013528273924529E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.508399404179813E-003
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  1.159669078926587E-003
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.566689345078128E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.260519216575211E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  9.818776089500984E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.101939389894538E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.334272420209327E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.900842445065692E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  2.798791894459988E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.069465353352419E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.041963271474911E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  1.149131820014695E-003
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  1.024158682176210E-010
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.205694115148009E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  1.160744392218066E-003
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.932775468800799E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.261227904015184E-003
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.336617726089588E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  6.789314404015129E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  2.324079309183307E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.342110185047432E-003
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  2.452880316218972E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  9.937845365885017E-008
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.306441189973038E-003
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.418753635726640E-003
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  2.457421742388551E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  2.343426095825731E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  3.081872532791866E-007
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  7.544348461576993E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  5.801170515066869E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  2.424015609684361E-003
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  2.022029451928952E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  4.911514746458447E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  8.504061413003251E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.167243779980163E-003
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  1.209478899713058E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  1.399650283315283E-003
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  1.004392400301509E-003
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  9.578878766321532E-008
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  5.746373837434323E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.092354195570406E-003
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  5.804176375048390E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  1.005383139555334E-003
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  6.307381710323304E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  9.077844600709731E-008
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.772094961072738E-003
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  9.953490109417865E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  2.324078908049063E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.342110188627477E-003
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  2.452880290731894E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  9.928556948579205E-008
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.306440984497014E-003
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.418753579987398E-003
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  2.457421981886094E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  2.343426060785013E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  3.080795147477759E-007
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  7.544348417063358E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  5.801170451216335E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  2.424015450705624E-003
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  2.022029481866935E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  4.911514506015701E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  8.504061570567174E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.167243755489733E-003
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  1.210683019648119E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  1.399650251515265E-003
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  1.004392220620440E-003
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  9.564259669394569E-008
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  5.746373735546452E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.092354244114376E-003
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  5.804176335363715E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  1.005383053401471E-003
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  6.307381566407092E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  9.067899299271770E-008
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.772094921364801E-003
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  9.953490177528350E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  1.308960403358331E-003
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  4.955401669343340E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  1.297582254683219E-003
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  7.394256718850734E-004
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  1.614031314578950E-003
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  4.824118785550160E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.809548217524210E-003
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.095410401690274E-003
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  6.921371183856547E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  8.418377861897215E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  8.774222181299224E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  4.002747720029443E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  1.866170021249108E-003
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.313054572266812E-004
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  2.156891854679945E-003
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.202841684127437E-003
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  1.240892977238538E-003
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  3.821049620446142E-004
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  5.740321550093601E-004
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  7.064868349048646E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  1.012228968601220E-003
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  6.506231194121539E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  1.782835037477328E-003
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.988034504739669E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  3.390596677781633E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  5.167869031290684E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  1.110655250512421E-003
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  7.260494558586735E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  7.590025065873575E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  3.312099121036785E-004
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  7.753211146994621E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  1.033545536531230E-004
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  1.695086906009877E-003
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  8.563350317687806E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  2.510644820896698E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.050806493652381E-003
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  9.269398118286516E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  1.217045590732833E-003
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  1.189404333048692E-003
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.194730231925108E-003
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  1.530990682379070E-003
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.095277463712521E-003
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.539250047678197E-003
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  1.213518146892903E-003
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  6.803574199683678E-004
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  6.844268784044850E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  1.650264278849366E-003
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.313976997115396E-004
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  1.662926441019846E-003
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  5.368881260414647E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  9.371238891610579E-004
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  7.151161770679910E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  8.513442174526386E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  3.230083754169775E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  8.126139486562784E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  6.507025540234559E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  1.960440831308786E-003
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.118604147432386E-003
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  3.389804391087726E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  8.843958630431467E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  9.241568277449084E-004
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  3.408809210922895E-004
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  6.552942076205738E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  5.069744466447945E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  1.006427503594717E-003
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  1.032912552398851E-004
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  1.804454821636946E-003
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  4.684029722123962E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  2.510644278289293E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.050806452782289E-003
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  9.269402046654407E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  1.217045451798630E-003
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  1.189404306305223E-003
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.194730114621951E-003
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  1.530990627895397E-003
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.095277266481256E-003
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.539249750705971E-003
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  1.213518021058141E-003
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  6.803573951749351E-004
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  6.844266791885987E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  1.650264210485486E-003
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.313978240960490E-004
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  1.662926367752657E-003
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  5.368881189095208E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  9.371236695417591E-004
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  7.151159947579025E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  8.513441694227709E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  3.230082507725562E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  8.126139172292770E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  6.507026065441637E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  1.960440746900267E-003
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.118603925477766E-003
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  3.389802432043369E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  8.843958090850854E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  9.241567080433014E-004
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  3.408809964752243E-004
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  6.552941835719299E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  5.069743136347345E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  1.006427451223436E-003
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  1.032911688188565E-004
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  1.804454741625244E-003
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  4.684028285532097E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  1.308960317748422E-003
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  4.955398792044227E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  1.297582128764985E-003
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  7.394258250155079E-004
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  1.614031210874486E-003
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  4.824119319055471E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.809548106853249E-003
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.095410487609544E-003
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  6.921374095355568E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  8.418379253617085E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  8.774221598752200E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  4.002745747681063E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  1.866169910625293E-003
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.313053240788131E-004
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  2.156891747348752E-003
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.202841600780054E-003
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  1.240893188676801E-003
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  3.821051538204322E-004
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  5.740321339052049E-004
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  7.064867468719315E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  1.012228907953633E-003
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  6.506230155116458E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  1.782834946077348E-003
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.988033292682212E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  3.390598275678132E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  5.167868766187862E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  1.110655364921867E-003
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  7.260493900158326E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  7.590024608801478E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  3.312100404315904E-004
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  7.753210798000132E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  1.033546301611508E-004
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  1.695086820637013E-003
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  8.563348805751877E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  6.552526022582465E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.964459299921132E-003
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  3.496003044566340E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.355623298222071E-003
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.925380918214218E-003
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  4.867842470741436E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  1.611904831877642E-003
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.384571757780571E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.095428642025607E-003
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  2.202145208567036E-003
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  2.026549503801769E-003
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  4.027137179908008E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  8.756607009289121E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  2.864816943424624E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.313312430252605E-004
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  5.287107542414342E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  7.538332730173250E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  2.159011323314364E-003
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  1.048075494075536E-003
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  4.346469930658142E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  8.001710727136864E-004
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  2.668456545660715E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  6.501993975989903E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  2.407401003965516E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  9.822378047698887E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  3.390024120197317E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  6.719397215590610E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  2.018679869355962E-003
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  1.024783720046928E-003
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.526091019175028E-004
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  8.136341941494440E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  2.813873163509331E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  1.033260070331904E-004
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  1.818305556225097E-004
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  7.412916891637526E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  6.552525866774912E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.964459583825388E-003
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  3.496003183823153E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.355623663739444E-003
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.925380792840289E-003
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  4.867842555200451E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  1.611904737030458E-003
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.384571781179380E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.095428787648751E-003
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  2.202144956704204E-003
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  2.026549384532918E-003
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  4.027137204142114E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  8.756606445455023E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  2.864816995343925E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.313311168441910E-004
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  5.287107584574835E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  7.538332815471077E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  2.159011120266860E-003
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  1.048075311624699E-003
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  4.346469953496528E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  8.001711049415357E-004
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  2.668456582126433E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  6.501993171435738E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  2.407400988771725E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  9.822376176071078E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  3.390025916866282E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  6.719397247991800E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  2.018679762712874E-003
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  1.024783796248790E-003
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.526091046185406E-004
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  8.136340677685057E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  2.813873154256918E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  1.033260886458809E-004
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  1.818305525710216E-004
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  7.412917688616249E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  3.527117322922660E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  2.999717505283434E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.214784805279263E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  7.718384439682195E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.618900520093558E-003
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  3.641666037450684E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.445213249083257E-003
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  2.428246092024171E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  9.965614616929176E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  7.112752836642194E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.235168552984395E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.021722098440359E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.439261965178088E-003
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.466811415738327E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  2.287609581913047E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.263241225555891E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  5.019419023457231E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  5.502837118301670E-004
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  4.908833298899514E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  1.675805892728800E-003
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.616494891579542E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.017107911262720E-003
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  5.655595203795862E-004
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  6.942956302634166E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  8.377195644824989E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  2.160102314039628E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  1.516325120377499E-003
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  5.227179635521736E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.704980496835014E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  3.629024382527888E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.625322651814307E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.284593760092399E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  5.742619759436649E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.418757827251575E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  4.434084294039738E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.263014802450441E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  5.227211355954749E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.334558108005100E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  6.679246393012434E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  1.529457740217095E-003
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  2.650699522109442E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  3.857654754831084E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.618741725617538E-003
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  8.634888698471172E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.222403777616949E-003
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  2.118465227134752E-003
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  4.982437431439522E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  7.154830347927218E-008
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  4.361548026286775E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.979887560099767E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  7.207697005697492E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.249204754119150E-003
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  1.143067894144900E-004
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  5.393098015152808E-008
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  2.517316189439858E-004
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  2.752380153767138E-004
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  1.313816511749884E-003
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  1.675604993082448E-003
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  7.258806450951577E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  5.083988545116472E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  5.656152004244843E-004
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  8.811297701046530E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.190242307044710E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  8.723090643189623E-009
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  7.583132465967488E-004
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  4.768353927437761E-004
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  1.650758323872059E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  1.815864902012446E-004
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  4.542976507417339E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  3.848965459226985E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  2.875205159692007E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  4.983631339446468E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  2.221729627461391E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  7.868755549271269E-009
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  2.621473762235879E-004
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  3.145121928213219E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  6.679240116781889E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  1.529457700401131E-003
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  2.650698352738578E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  3.857654871272387E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.618741691837467E-003
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  8.634888686241502E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.222403741393805E-003
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  2.118465217019613E-003
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  4.982437245127450E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  7.155442166973042E-008
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  4.361545759715364E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.979887313082010E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  7.207696820973464E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.249204277316452E-003
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  1.143067923421711E-004
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  5.404776569959648E-008
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  2.517316146698102E-004
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  2.752380139787790E-004
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  1.313816534429465E-003
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  1.675604956418155E-003
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  7.258806741329863E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  5.083988409091464E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  5.656151910065533E-004
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  8.811297687553288E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.190242289177771E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  8.724227618973853E-009
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  7.583132337781258E-004
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  4.768354073104688E-004
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  1.652378765713770E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  1.815864934444113E-004
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  4.542973369992207E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  3.848962886018408E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  2.875205070443401E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  4.983630609802659E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  2.221729612184212E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  7.800494086674308E-009
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  2.621473701971959E-004
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  3.145119152093630E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  5.129660434239020E-006
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  8.120329305319095E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  2.824063594739926E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.154148771205544E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.746377509434778E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  8.664747016591790E-007
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  1.264812513850587E-010
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  1.305427266402007E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.228197956411093E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  7.253091720376366E-007
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.391513338106693E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  2.035342112605895E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  9.861149161947880E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  4.456819958791536E-007
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  2.021768884601214E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  1.277705699826961E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  6.881988520367392E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  9.453187953864140E-007
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  5.798910852834633E-007
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.858330875093603E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.552725059111674E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  2.042642063385690E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.739447972613160E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  4.038960621541287E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  8.008783672887768E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  5.951718324706182E-007
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.359688196741246E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.199183303406610E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  2.771591950378570E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  1.192791261390816E-010
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.085906557059524E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  3.519916522792148E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  1.020131465862956E-010
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  2.913130436158771E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.329853169555859E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.551653664333400E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  9.795767753309547E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  4.802488301032214E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  7.506060277623739E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  6.689221490559434E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  1.286706962142361E-010
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.058728504257709E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  7.532389893117073E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.036027274638967E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.193978422311266E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.004951819605987E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.596329041487901E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.489249866187006E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.985263996047656E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  2.725378767938742E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.444635306248076E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.926134766873537E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.519798076425554E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.081937438940182E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  2.799765721067040E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.338890266642359E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.611035981915834E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.231850271640474E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  1.877461895278119E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.363911228159768E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  2.014455826889947E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  3.100368010869219E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  6.944648048776317E-007
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  2.014560747492355E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  3.489807004587132E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  8.689323284183389E-008
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  3.010472096060423E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  1.363056159735947E-003
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  2.360998444075057E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  2.588104238919248E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  8.182610886544547E-008
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  1.448276365674767E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.400011651096377E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  1.626351184424156E-003
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  2.127860937104878E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  9.387371109262879E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  4.637255468728770E-008
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  1.971662830897891E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  2.424832942857461E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  3.100367813011814E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  6.941211292835031E-007
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  2.014560700201624E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  3.489807022755897E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  8.630409668726960E-008
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  3.010472010186580E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  1.363056108804275E-003
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  2.360998410549603E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  2.588104141737382E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  8.179494232585135E-008
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  1.447195798414099E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.400011639826015E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  1.626351163324017E-003
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  2.127860859970894E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  9.387370834507277E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  4.633314877167420E-008
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  1.971662755751578E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  2.424832984732317E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  6.568034457054226E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  6.083984799916862E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  6.972898816366954E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  3.280189492855544E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  2.108411914387631E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  3.126368273742694E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  6.258876755461644E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  2.007781499072514E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.290305941470992E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.179428364876790E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  2.859065143611593E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.426588255017353E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  2.047899930939923E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.637995098812458E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  2.650231181289547E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  6.927907013342532E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  3.020845292169367E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  5.332035566467308E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  9.572660644434402E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  9.824826146662708E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  4.232096391685371E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  5.290040797482112E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  5.989082449083460E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.280664379195351E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  1.047161951414457E-010
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  7.783498729999015E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  3.750520518842286E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  2.984827167615659E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.524163244883414E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  2.391840537055618E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  2.095250290404604E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  3.280271680921209E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  1.744582583697798E-003
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  3.126704085430751E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  2.670836714342583E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  1.610927926821600E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  2.294768495949970E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.773062915718524E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  1.429392131933624E-003
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  2.475512876980529E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  1.023658494567289E-003
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  1.013015037410898E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  1.324892134353716E-003
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.988803183661055E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  3.020996581667369E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  9.573171461581441E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.798298674724137E-003
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  3.687627549242395E-007
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  1.775846770071412E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.872685347994735E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  2.071358949565703E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  2.584368356792504E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  3.890632661158130E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  6.743630047111845E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.492312742452680E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  4.862677270602235E-008
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  1.195807720124181E-003
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  3.243612952127379E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  3.280271592407705E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  1.744582548669152E-003
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  3.126703994093279E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  2.670836641858853E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  1.610844825296163E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  2.294768574752019E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.773062926703915E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  1.429392102209119E-003
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  2.475512987049454E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  1.023658498142589E-003
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  1.013719496884227E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  1.324892121514283E-003
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.988803132140579E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  3.020996532299793E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  9.573171246142884E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.798298625569618E-003
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  3.687476624665077E-007
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  1.777194066479334E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.872685320124651E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  2.071359169493265E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  2.584368382279749E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  3.890632332015523E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  6.743631375293493E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.492312723879276E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  4.860572703834663E-008
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  1.195807685787104E-003
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  3.243613186481681E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  6.254272752449125E-006
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.145135790880569E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.854327394285711E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  1.876033851140945E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.500869109343593E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  1.486808425175725E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.031148363974881E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  1.747472510138072E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.390331823590560E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  1.116878324411320E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.249286851051230E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.565829867480232E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  7.110383774082221E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  2.061952837338174E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.946192572591340E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  8.215292664491753E-007
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.786894487447231E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  2.870665599604289E-007
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  5.220262475710134E-007
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  9.160743146557048E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.113737668896122E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  3.954310607851131E-007
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.384440050917460E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  3.557386959457854E-007
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.280999102655222E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  9.349176584119377E-007
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.029884486694442E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171877402166043E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  2.017480136655539E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.114534631066592E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.468023892076644E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  1.853748735891224E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.782159629978919E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  4.630825390655957E-007
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.444794976793828E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  6.111983179528490E-007
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.385831891869658E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.783193921343608E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  2.290126135164382E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.463466626904189E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.340640189956888E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  2.399704795166287E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.301574140610048E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  7.005018007247857E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  7.722194202099356E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.747972197914124E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  2.309848172447997E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  3.472447459332299E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.655847785235448E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  5.222114414329704E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.623642176096292E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  2.234828753340413E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  1.420381925518034E-010
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  4.953949150268041E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  3.382149167005033E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  2.433118434747529E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  6.722223297961263E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  5.532693290708166E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  7.957486451537661E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  7.217704015245192E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.089217835004149E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  4.642727952662074E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  2.689976204300317E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.536762926297809E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  2.006386180442492E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.584137914561758E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  1.241170351748354E-003
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  1.978724308823981E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  1.199972483442964E-003
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  2.077638076598214E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  2.015704605520681E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  1.406205497242295E-003
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  1.433602026393887E-003
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  1.154676521213300E-003
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  2.000335135691002E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  8.277569479555456E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  4.399798668855537E-007
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  8.116092438288751E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.116468779977804E-003
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.107473429392168E-003
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  2.490728953963425E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.216104178207828E-003
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  4.765260930811655E-007
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  2.754056195052961E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  1.935594807363473E-003
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  1.148814757838527E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  3.610213968514945E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  1.074956564337383E-003
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  1.737254013443089E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  1.344794816372839E-003
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  2.329601613154475E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  1.003203548992622E-003
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  1.366345073045022E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  6.204308307370425E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  6.248160135182873E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  1.199972405624508E-003
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  2.077638018910485E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  2.015771631438085E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  1.406205491481458E-003
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  1.433602065784997E-003
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  1.154676475442071E-003
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  2.000335254782239E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  8.277569201606553E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  4.401359798416831E-007
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  8.116092114075135E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.116468753455612E-003
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.107473471505288E-003
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  2.490728892632803E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.216104163682974E-003
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  4.765511083076723E-007
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  2.754056125492420E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  1.935594844384658E-003
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  1.149195547217762E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  3.610214042654059E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  1.074956609077166E-003
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  1.737253920310374E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  1.344794787493933E-003
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  2.329601599348818E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  1.003203534572574E-003
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  1.367087811263393E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  6.204308074724900E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  6.248159047993519E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  3.370055261995277E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.476155697309562E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.773788680356850E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  2.832236291110663E-007
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  7.940805290699874E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  3.685156780632234E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  7.911181098610102E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  6.595115997126626E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.119041042198423E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  4.936889208368380E-007
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.566937779187166E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.045246532149606E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.035479997459677E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  2.344726373372540E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.883919564192425E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  5.062034367873986E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.210197267057210E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  6.139901468672679E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  5.164138955344401E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.900108677378942E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.291564829101590E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  2.965475112652036E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.811010115728355E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.792058871110729E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.272141782535611E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  8.281897822475986E-007
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.075910398335650E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.292488957186740E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  1.297159301029892E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.752948358830938E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.571709663468308E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  2.022408341979599E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.326145170116771E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  3.450998700842042E-007
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.026711086066374E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.915246458526369E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.404374847606048E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.847903163036871E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.713027813894119E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.150204958553016E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.674633421387743E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.733192224381977E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.291272050558538E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  9.999789194475746E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.433713178550569E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.943274110644730E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  2.830844015302342E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.407556367034502E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  4.871877280788223E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  1.489482000204527E-003
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  1.138744210061843E-003
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.572426559997772E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.261003650462915E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  9.720556091507818E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.101869763864624E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  2.336370934127130E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.910155019210519E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  2.769347583780894E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.073526342458678E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.029973645892508E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  1.146612567982047E-003
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  1.035833060715498E-010
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.214330771080366E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  1.154811107507575E-003
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.906279360346876E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.255352998359254E-003
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.267823629531507E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  6.714987033977427E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  2.316956844332907E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.337976972012525E-003
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  2.460066745980418E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  9.620615949525457E-008
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.290060142327805E-003
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.415645419178032E-003
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  2.452026413114407E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  2.333652633250206E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  3.031108954174984E-007
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  7.449802642354294E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  5.696590313505910E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  2.398518132039532E-003
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  2.023852991561530E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  4.862482802689509E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  8.418999231951913E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.168292222489145E-003
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  1.203560236760672E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  1.384939078541872E-003
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  9.862724407999285E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  9.430452310496573E-008
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  5.733792506140427E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.087267115454724E-003
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  5.774511323023144E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  1.000246578226214E-003
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  6.278089499930235E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  8.930247599111659E-008
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  1.759728599659178E-003
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  9.931690850184184E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  2.316956445221906E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.337976974872177E-003
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  2.460066720141888E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  9.611715485563891E-008
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.290059940203667E-003
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.415645363340302E-003
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  2.452026648119179E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  2.333652598482137E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  3.030076480865712E-007
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  7.449802604496028E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  5.696590256109387E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  2.398517972263413E-003
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  2.023853020943608E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  4.862482566640491E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  8.418999389997639E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.168292197568153E-003
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  1.204759427071941E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  1.384939047889944E-003
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  9.862722627447362E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  9.415995066607338E-008
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  5.733792404965080E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.087267162349379E-003
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  5.774511284803292E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  1.000246492584645E-003
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  6.278089357685953E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  8.920485854675531E-008
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  1.759728560748802E-003
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  9.931690904597546E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  1.286642338091381E-003
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  4.643766248392013E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.225878107811258E-003
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  7.145846043969657E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  1.597946264808706E-003
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  4.594706533056261E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  1.807347111145635E-003
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.092002908932334E-003
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  6.765752370585951E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  8.351181471623117E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  8.731272648640323E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  3.827260850027693E-004
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.852238218366526E-003
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.273565574346909E-004
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  2.128722409238961E-003
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  1.169759726743714E-003
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  1.222491481523377E-003
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  3.800967226871996E-004
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  5.655672653445847E-004
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  6.932019043805526E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  9.922926700493358E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  6.632025234796731E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.757935778468787E-003
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  3.049540079207386E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  3.365858145172933E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  5.112772413698211E-004
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  1.080966753977536E-003
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  7.042401621895151E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  7.480185756773487E-004
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  3.289657063616061E-004
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  7.637634544541401E-004
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.044086130159285E-004
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.671175006308724E-003
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  8.457026709278825E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  2.460913287000757E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  1.001061494088141E-003
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  9.343580875954613E-004
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  1.228216907930090E-003
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  1.153799359591019E-003
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.198996536594192E-003
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.507502329255094E-003
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.091908413267925E-003
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  1.525398061464493E-003
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.206348130662832E-003
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  6.749584093121585E-004
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  6.741229394385760E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  1.636353875401291E-003
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.274327009915859E-004
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.632718528832828E-003
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  5.153495944698653E-004
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  9.246934519151000E-004
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  7.003528032694687E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  8.370011126643231E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  3.167222404467122E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  7.998340203923287E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  6.633052804107056E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  1.932081165358157E-003
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  1.095043310535049E-003
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  3.365190371007937E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  8.751922744938518E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  9.182239242179955E-004
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  3.415967258083708E-004
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  6.480826060911968E-004
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  4.983729852187137E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  9.815337578080101E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.043508902410795E-004
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.766741451858582E-003
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  4.602702111415227E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  2.460912744483968E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  1.001061458401906E-003
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  9.343584860352324E-004
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  1.228216766834763E-003
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  1.153799333128960E-003
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.198996416542754E-003
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.507502274783356E-003
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.091908214410983E-003
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  1.525397765979276E-003
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.206348002326508E-003
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  6.749583851528849E-004
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  6.741227464231194E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  1.636353806855621E-003
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.274328226989012E-004
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.632718455651798E-003
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  5.153495870042560E-004
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  9.246932331450203E-004
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  7.003526234887381E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  8.370010646468963E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  3.167221176421923E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  7.998339900251630E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  6.633051759029290E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  1.932081081873807E-003
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  1.095043088676596E-003
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  3.365188408227520E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  8.751922207131164E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  9.182238029773346E-004
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  3.415968007280677E-004
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  6.480825822182684E-004
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  4.983728525866659E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  9.815337054929602E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.043508026546135E-004
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.766741372257718E-003
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  4.602700689713254E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  1.286642251953627E-003
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  4.643766030832696E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.225877983623700E-003
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  7.145847571172435E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  1.597946161474836E-003
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  4.594707008074238E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  1.807346999954162E-003
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.092002988727996E-003
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  6.765755267259650E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  8.351182853968267E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  8.731272063840167E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  3.827259032039993E-004
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.852238107904879E-003
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.273564266226599E-004
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  2.128722303045103E-003
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  1.169759642924081E-003
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  1.222491694462008E-003
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  3.800969151592209E-004
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  5.655672450326324E-004
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  6.932018156046554E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  9.922926094157389E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  6.632025733395479E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.757935687707620E-003
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  3.049538811628637E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  3.365859719982907E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  5.112772152076539E-004
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  1.080966869603145E-003
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  7.042400971780945E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  7.480185299546109E-004
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  3.289658343531181E-004
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  7.637634196736025E-004
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.044086900433712E-004
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.671174921247160E-003
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  8.457025201170344E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  6.373610890358706E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.008906553729806E-003
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  3.873618246272696E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  1.312101554024700E-003
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.910482265020155E-003
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  5.119239647474235E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  1.581089577416339E-003
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  3.573661620925122E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.091976991602411E-003
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  2.168006844962185E-003
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  2.010222603328577E-003
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  3.809293615315279E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  8.732347547444819E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  2.914578552855311E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.273842824548844E-004
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  5.354388919304752E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  7.464680282248072E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  2.128276313109349E-003
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  1.028908200389519E-003
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  4.247557751488614E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  7.877496347722643E-004
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  2.636663878228855E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  6.625566207563125E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  2.371381070072096E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  9.492601252879425E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  3.365160020591720E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  6.616086168283747E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.983114245394298E-003
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  1.003698655630208E-003
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.489422387787618E-004
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  8.031667496303895E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  2.701174230558390E-004
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.043750685872553E-004
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.727409894408929E-004
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  7.345321935764172E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  6.373610688696088E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.008906858272820E-003
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  3.873618388494248E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  1.312101844825212E-003
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.910482138397664E-003
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  5.119239723641648E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  1.581089481489430E-003
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  3.573661649507608E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.091977132983928E-003
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  2.168006595488873E-003
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  2.010222483967507E-003
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  3.809293636422441E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  8.732346942497306E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  2.914578607181662E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.273841579854166E-004
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  5.354388979526662E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  7.464680363493356E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  2.128276110257969E-003
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  1.028908020269416E-003
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  4.247557767021037E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  7.877496683946031E-004
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  2.636663912668673E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  6.625566969474730E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  2.371381042744806E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  9.492599399640427E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  3.365161799415943E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  6.616086195379671E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.983114137396355E-003
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  1.003698730827296E-003
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.489422416650398E-004
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  8.031666237553523E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  2.701174214633006E-004
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.043751511142317E-004
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.727409862591826E-004
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  7.345322732989410E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  3.484693278199041E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.955408848738839E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.245313978385194E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  7.192471143443507E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.592172036032607E-003
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  3.569837758461762E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  2.416618921055587E-003
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  2.534128547163578E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  9.790227735533958E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  6.634340424263984E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.235505467902223E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.057128931460110E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.437105961299877E-003
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.474456127221821E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.403462095568401E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  8.170069308912989E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  4.934886720166560E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  5.419550635173497E-004
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  4.755325055600816E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.651348725209619E-003
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.575236704102767E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.004362992840122E-003
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.545812267959910E-004
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  7.090998077417014E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  8.171605835976534E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  1.811303478652911E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.488618223472496E-003
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  5.310992589278869E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.677051048774097E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  3.475113107783752E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.626715867398071E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.283624938195443E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  5.742975229088424E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.418080826062679E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  4.427008949383265E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.240822785004998E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  5.198043751352133E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.331492124478809E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  6.224443275753608E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.533388055218398E-003
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  2.657513336638262E-003
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  3.594709451669993E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.592031708808076E-003
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  8.483007849233292E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  1.208127863580717E-003
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  2.093737832891032E-003
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  4.894697615284288E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  6.881874519029337E-008
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  4.288832520032878E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  2.080047226750238E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  7.197445887527990E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.247435674747416E-003
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.200912363988007E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  5.413647711100690E-008
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  2.475302998435219E-004
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  2.710723941037880E-004
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.289822026681066E-003
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.651161169724521E-003
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  7.080726992875235E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  5.020345571127391E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.546351386505458E-004
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  8.701062649452805E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  4.087447362280287E-004
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  8.432488079759166E-009
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  7.444589947151524E-004
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  4.696199637680751E-004
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  1.648249686149014E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.738968548313994E-004
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  4.518148977452727E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  3.843122080705308E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  2.875560824587681E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  4.984283899688016E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  2.218342719477611E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  7.865214535192221E-009
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  2.607129916500026E-004
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  3.012023028179895E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  6.224437143847876E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.533388020542050E-003
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  2.657512170108411E-003
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  3.594709538757868E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.592031673218210E-003
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  8.483007830594014E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  1.208127828743254E-003
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  2.093737821579089E-003
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  4.894697429134202E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  6.882399607816797E-008
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  4.288830290743520E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  2.080047005865358E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  7.197445711172468E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.247435199662382E-003
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.200912395121869E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  5.425050472306306E-008
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  2.475302962056496E-004
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  2.710723929778332E-004
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.289822050381496E-003
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.651161132346122E-003
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  7.080727293165189E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  5.020345438018158E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.546351297102995E-004
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  8.701062633098191E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  4.087447351751183E-004
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  8.433015317317008E-009
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  7.444589828280975E-004
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  4.696199789639415E-004
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  1.649764960953182E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.738968581440806E-004
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  4.518145848317049E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  3.843119512120683E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  2.875560739165101E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  4.984283222879643E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  2.218342708570772E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  7.796007811109047E-009
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  2.607129863688797E-004
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  3.012020275152665E-004
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6846.58964240 p = -3232.63316236
                                d =  -847.56674435 f =   -25.92467539
       valence  contribution :  s =    -0.16743266 p =    -0.04181320
                                d =    -1.54732303 f =    -0.00308564
                                ns      0.00903251
     single particle energies  spin  up    
         core   contribution :  s = -6846.78566793 p = -3233.10276248
                                d =  -847.95883925 f =   -26.19915962
       valence  contribution :  s =    -0.17862258 p =    -0.04585100
                                d =    -1.70450887 f =    -0.00332008
                                ns      0.00982065
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21910.43375767
                                   band energy per atom :   -3.6731038892

     coulomb  contribution :   0  14043.15311975  1     -0.02098135
                               2     -0.00559860  3     -0.00300174
                               4      0.00941068  5     -0.00319865
                               6     -0.00003738
     --------------------------------------------------------------------
     tot. coulomb contribution :  14043.12971271

     ex.-cor. contribution :   0   -678.63648929  1      0.01177026
                               2      0.00477486  3     -0.00462731
                               4     -0.00896644  5      0.00241237
                               6      0.00003733
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -678.63108822

     eff. pot. contribution     : -27094.20794472
     total double counting contribution                 : -13729.70932023

   Total contribution of atom  1 =-35640.14307790
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09804352 p =    -0.11670057
                                d =    -0.05586984 f =    -0.02102859
                                ns      0.05448621
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10370994 p =    -0.12330351
                                d =    -0.05972363 f =    -0.02288479
                                ns      0.05839868
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.48837951
                                   band energy per atom :   -0.4883795145

     coulomb  contribution :   0      0.45293574  1      0.02132991
                               2     -0.03962640  3     -0.01211002
                               4     -0.01823623  5     -0.00311806
                               6     -0.00044326
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.40073169

     ex.-cor. contribution :   0     -0.73000609  1     -0.00096742
                               2      0.05655749  3      0.01147274
                               4      0.02233600  5      0.00453937
                               6      0.00061465
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.63545327

     eff. pot. contribution     :     -0.44064326
     total double counting contribution                 :     -0.67536484

   Total contribution of atom  2 =    -1.16374435
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09801636 p =    -0.11666420
                                d =    -0.05585507 f =    -0.02102253
                                ns      0.05445716
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10368169 p =    -0.12326481
                                d =    -0.05970724 f =    -0.02287802
                                ns      0.05836750
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.48826526
                                   band energy per atom :   -0.4882652571

     coulomb  contribution :   0      0.45268161  1      0.02135627
                               2     -0.03958668  3     -0.01210360
                               4     -0.01822501  5     -0.00311649
                               6     -0.00044277
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.40056334

     ex.-cor. contribution :   0     -0.72980711  1     -0.00097272
                               2      0.05653199  3      0.01146645
                               4      0.02232388  5      0.00453760
                               6      0.00061395
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.63530597

     eff. pot. contribution     :     -0.44059688
     total double counting contribution                 :     -0.67533950

   Total contribution of atom  3 =    -1.16360476
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09801636 p =    -0.11666420
                                d =    -0.05585507 f =    -0.02102253
                                ns      0.05445716
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10368169 p =    -0.12326481
                                d =    -0.05970723 f =    -0.02287802
                                ns      0.05836750
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.48826525
                                   band energy per atom :   -0.4882652548

     coulomb  contribution :   0      0.45268160  1      0.02135627
                               2     -0.03958668  3     -0.01210360
                               4     -0.01822501  5     -0.00311649
                               6     -0.00044277
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.40056332

     ex.-cor. contribution :   0     -0.72980711  1     -0.00097272
                               2      0.05653198  3      0.01146645
                               4      0.02232395  5      0.00453760
                               6      0.00061395
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.63530590

     eff. pot. contribution     :     -0.44059687
     total double counting contribution                 :     -0.67533945

   Total contribution of atom  4 =    -1.16360470
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05653866 p =    -0.06879542
                                d =    -0.03253019 f =    -0.01108989
                                ns      0.00952844
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06008694 p =    -0.07248846
                                d =    -0.03440228 f =    -0.01185436
                                ns      0.01008659
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.32817118
                                   band energy per atom :   -0.3281711840

     coulomb  contribution :   0      0.26290236  1     -0.00044830
                               2     -0.00037074  3      0.00000201
                               4     -0.01517413  5      0.00033168
                               6     -0.00061798
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.24662491

     ex.-cor. contribution :   0     -0.43748319  1     -0.00000057
                               2     -0.00033578  3     -0.00000567
                               4      0.01833972  5     -0.00000367
                               6      0.00120610
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41828305

     eff. pot. contribution     :     -0.44345733
     total double counting contribution                 :     -0.61511547

   Total contribution of atom  5 =    -0.94328665
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05653825 p =    -0.06879989
                                d =    -0.03253325 f =    -0.01109016
                                ns      0.00952897
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06008617 p =    -0.07249287
                                d =    -0.03440549 f =    -0.01185467
                                ns      0.01008712
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.32818467
                                   band energy per atom :   -0.3281846698

     coulomb  contribution :   0      0.26294855  1     -0.00045300
                               2     -0.00037230  3      0.00000235
                               4     -0.01517664  5      0.00033235
                               6     -0.00061752
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.24666380

     ex.-cor. contribution :   0     -0.43747991  1     -0.00000064
                               2     -0.00033594  3     -0.00000566
                               4      0.01834149  5     -0.00000365
                               6      0.00120522
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41827910

     eff. pot. contribution     :     -0.44344715
     total double counting contribution                 :     -0.61506245

   Total contribution of atom  6 =    -0.94324712
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05653825 p =    -0.06879989
                                d =    -0.03253325 f =    -0.01109016
                                ns      0.00952897
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06008617 p =    -0.07249287
                                d =    -0.03440549 f =    -0.01185467
                                ns      0.01008712
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.32818467
                                   band energy per atom :   -0.3281846693

     coulomb  contribution :   0      0.26294855  1     -0.00045300
                               2     -0.00037230  3      0.00000235
                               4     -0.01517664  5      0.00033235
                               6     -0.00061752
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.24666379

     ex.-cor. contribution :   0     -0.43747991  1     -0.00000064
                               2     -0.00033595  3     -0.00000566
                               4      0.01834152  5     -0.00000365
                               6      0.00120522
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41827907

     eff. pot. contribution     :     -0.44344715
     total double counting contribution                 :     -0.61506243

   Total contribution of atom  7 =    -0.94324710
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08058690 p =    -0.09548649
                                d =    -0.04093885 f =    -0.01145934
                                ns      0.01644114
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08553149 p =    -0.10114662
                                d =    -0.04401963 f =    -0.01257355
                                ns      0.01786041
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.43744133
                                   band energy per atom :   -0.4374413261

     coulomb  contribution :   0      0.30940954  1     -0.01051371
                               2     -0.01096501  3      0.00461463
                               4     -0.02254295  5     -0.00046284
                               6     -0.00011770
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.26942197

     ex.-cor. contribution :   0     -0.61752324  1      0.00188503
                               2      0.00348342  3      0.00084099
                               4      0.03036322  5      0.00108720
                               6      0.00080109
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57906229

     eff. pot. contribution     :     -0.42824242
     total double counting contribution                 :     -0.73788275

   Total contribution of atom  8 =    -1.17532407
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.71490585 p = -1090.11861827
                                d =  -191.15457740
       valence  contribution :  s =    -0.49918915 p =    -0.19987147
                                d =    -0.01906290 f =    -0.00599175
                                ns     -0.00276007
     single particle energies  spin  up    
         core   contribution :  s = -2635.87173810 p = -1090.47148692
                                d =  -191.54543189
       valence  contribution :  s =    -0.52648056 p =    -0.21911650
                                d =    -0.02040293 f =    -0.00635662
                                ns     -0.00288998
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.37888039
                                   band energy per atom :   -1.5021219429

     coulomb  contribution :   0   5103.46421532  1      0.00560790
                               2      0.00024927  3     -0.00041624
                               4      0.00077657  5     -0.00003375
                               6     -0.00013921
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.47025986

     ex.-cor. contribution :   0   -329.22020660  1     -0.00009286
                               2     -0.00024687  3      0.00353724
                               4     -0.01864246  5      0.00007735
                               6      0.00038018
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.23519402

     eff. pot. contribution     :  -9892.45283849
     total double counting contribution                 :  -5118.21777264

   Total contribution of atom  9 =-12954.59665303
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.71490585 p = -1090.11861827
                                d =  -191.15457740
       valence  contribution :  s =    -0.49917583 p =    -0.19985747
                                d =    -0.01906335 f =    -0.00599235
                                ns     -0.00276052
     single particle energies  spin  up    
         core   contribution :  s = -2635.87173810 p = -1090.47148692
                                d =  -191.54543189
       valence  contribution :  s =    -0.52646738 p =    -0.21910046
                                d =    -0.02040340 f =    -0.00635725
                                ns     -0.00289051
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.37882696
                                   band energy per atom :   -1.5020685170

     coulomb  contribution :   0   5103.45975124  1      0.00559958
                               2      0.00024889  3     -0.00041495
                               4      0.00077652  5     -0.00003341
                               6     -0.00013924
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.46578863

     ex.-cor. contribution :   0   -329.22008743  1     -0.00009268
                               2     -0.00024747  3      0.00353749
                               4     -0.01864595  5      0.00007756
                               6      0.00038026
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.23507824

     eff. pot. contribution     :  -9892.44840522
     total double counting contribution                 :  -5118.21769483

   Total contribution of atom 10 =-12954.59652179
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.71490585 p = -1090.11861827
                                d =  -191.15457740
       valence  contribution :  s =    -0.49917583 p =    -0.19985747
                                d =    -0.01906335 f =    -0.00599235
                                ns     -0.00276052
     single particle energies  spin  up    
         core   contribution :  s = -2635.87173810 p = -1090.47148692
                                d =  -191.54543189
       valence  contribution :  s =    -0.52646738 p =    -0.21910046
                                d =    -0.02040340 f =    -0.00635725
                                ns     -0.00289051
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.37882695
                                   band energy per atom :   -1.5020685163

     coulomb  contribution :   0   5103.45975151  1      0.00559958
                               2      0.00024889  3     -0.00041495
                               4      0.00077652  5     -0.00003341
                               6     -0.00013924
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.46578890

     ex.-cor. contribution :   0   -329.22008745  1     -0.00009268
                               2     -0.00024747  3      0.00353723
                               4     -0.01864586  5      0.00007756
                               6      0.00038026
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.23507842

     eff. pot. contribution     :  -9892.44840550
     total double counting contribution                 :  -5118.21769502

   Total contribution of atom 11 =-12954.59652197
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09268672 p =    -0.11364061
                                d =    -0.05266152 f =    -0.01596639
                                ns      0.05218298
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09763326 p =    -0.11882824
                                d =    -0.05531708 f =    -0.01702756
                                ns      0.05519524
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45638316
                                   band energy per atom :   -0.4563831612

     coulomb  contribution :   0      0.26107663  1     -0.00643053
                               2     -0.06751856  3     -0.00836648
                               4     -0.00520497  5     -0.00101531
                               6     -0.00026419
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.17227658

     ex.-cor. contribution :   0     -0.66489132  1     -0.00104726
                               2      0.05025515  3      0.00883977
                               4      0.01930790  5      0.00378904
                               6      0.00031419
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58343252

     eff. pot. contribution     :     -0.40435424
     total double counting contribution                 :     -0.81551019

   Total contribution of atom 12 =    -1.27189335
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.84102738 p = -1151.40264633
                                d =  -209.90747257
       valence  contribution :  s =    -0.63379200 p =    -0.25093844
                                d =    -0.01411479 f =    -0.00369468
                                ns      0.00075856
     single particle energies  spin  up    
         core   contribution :  s = -2755.99786343 p = -1151.75551518
                                d =  -210.29836987
       valence  contribution :  s =    -0.66071672 p =    -0.27830237
                                d =    -0.01438958 f =    -0.00371559
                                ns      0.00073939
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.06106099
                                   band energy per atom :   -1.8581662166

     coulomb  contribution :   0   5300.55870180  1     -0.02121571
                               2      0.00087898  3     -0.00161701
                               4      0.00213943  5     -0.00087323
                               6      0.00008547
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.53809974

     ex.-cor. contribution :   0   -339.72336589  1      0.01210564
                               2     -0.00331690  3     -0.01401593
                               4     -0.01432639  5      0.00219001
                               6     -0.00002404
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.74075350

     eff. pot. contribution     : -10304.42952639
     total double counting contribution                 :  -5343.63218016

   Total contribution of atom 13 =-13580.69324115
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.84102738 p = -1151.40264634
                                d =  -209.90747258
       valence  contribution :  s =    -0.63378255 p =    -0.25092945
                                d =    -0.01411450 f =    -0.00369482
                                ns      0.00075797
     single particle energies  spin  up    
         core   contribution :  s = -2755.99786343 p = -1151.75551518
                                d =  -210.29836987
       valence  contribution :  s =    -0.66070730 p =    -0.27829225
                                d =    -0.01438926 f =    -0.00371572
                                ns      0.00073873
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.06102392
                                   band energy per atom :   -1.8581291401

     coulomb  contribution :   0   5300.55676796  1     -0.02121308
                               2      0.00087895  3     -0.00161439
                               4      0.00213887  5     -0.00087310
                               6      0.00008548
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.53617069

     ex.-cor. contribution :   0   -339.72330332  1      0.01210573
                               2     -0.00332056  3     -0.01401906
                               4     -0.01432126  5      0.00219047
                               6     -0.00002402
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.74069201

     eff. pot. contribution     : -10304.42754083
     total double counting contribution                 :  -5343.63206215

   Total contribution of atom 14 =-13580.69308607
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.84102738 p = -1151.40264634
                                d =  -209.90747258
       valence  contribution :  s =    -0.63378255 p =    -0.25092945
                                d =    -0.01411450 f =    -0.00369482
                                ns      0.00075798
     single particle energies  spin  up    
         core   contribution :  s = -2755.99786343 p = -1151.75551519
                                d =  -210.29836987
       valence  contribution :  s =    -0.66070730 p =    -0.27829225
                                d =    -0.01438926 f =    -0.00371572
                                ns      0.00073873
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.06102392
                                   band energy per atom :   -1.8581291405

     coulomb  contribution :   0   5300.55676807  1     -0.02121308
                               2      0.00087895  3     -0.00161439
                               4      0.00213887  5     -0.00087310
                               6      0.00008548
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.53617080

     ex.-cor. contribution :   0   -339.72330331  1      0.01210573
                               2     -0.00332054  3     -0.01401705
                               4     -0.01432151  5      0.00219047
                               6     -0.00002402
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.74069023

     eff. pot. contribution     : -10304.42754093
     total double counting contribution                 :  -5343.63206037

   Total contribution of atom 15 =-13580.69308429
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.85038532 p = -1151.42372779
                                d =  -209.93087863
       valence  contribution :  s =    -0.63611824 p =    -0.25349711
                                d =    -0.01394624 f =    -0.00360252
                                ns      0.00033263
     single particle energies  spin  up    
         core   contribution :  s = -2756.00721828 p = -1151.77658831
                                d =  -210.32176176
       valence  contribution :  s =    -0.66296119 p =    -0.28093776
                                d =    -0.01434639 f =    -0.00368579
                                ns      0.00039976
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.17892293
                                   band energy per atom :   -1.8683628446

     coulomb  contribution :   0   5302.11937772  1     -0.00500456
                               2     -0.00003279  3     -0.00194300
                               4     -0.00025064  5     -0.00030536
                               6      0.00001054
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.11185192

     ex.-cor. contribution :   0   -339.76385715  1      0.01206504
                               2     -0.00358372  3     -0.01363233
                               4     -0.01398780  5      0.00202132
                               6     -0.00002874
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78100339

     eff. pot. contribution     : -10305.81717054
     total double counting contribution                 :  -5343.48632201

   Total contribution of atom 16 =-13580.66524494
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.85038532 p = -1151.42372779
                                d =  -209.93087863
       valence  contribution :  s =    -0.63611668 p =    -0.25350896
                                d =    -0.01394629 f =    -0.00360243
                                ns      0.00033198
     single particle energies  spin  up    
         core   contribution :  s = -2756.00721828 p = -1151.77658831
                                d =  -210.32176176
       valence  contribution :  s =    -0.66295944 p =    -0.28095033
                                d =    -0.01434648 f =    -0.00368571
                                ns      0.00039914
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.17894528
                                   band energy per atom :   -1.8683851979

     coulomb  contribution :   0   5302.11958751  1     -0.00500653
                               2     -0.00002562  3     -0.00194285
                               4     -0.00024880  5     -0.00030557
                               6      0.00001056
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.11206869

     ex.-cor. contribution :   0   -339.76387749  1      0.01206452
                               2     -0.00358077  3     -0.01363563
                               4     -0.01398673  5      0.00202123
                               6     -0.00002873
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78102360

     eff. pot. contribution     : -10305.81746736
     total double counting contribution                 :  -5343.48642226

   Total contribution of atom 17 =-13580.66536754
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.85038532 p = -1151.42372779
                                d =  -209.93087863
       valence  contribution :  s =    -0.63611668 p =    -0.25350896
                                d =    -0.01394629 f =    -0.00360243
                                ns      0.00033198
     single particle energies  spin  up    
         core   contribution :  s = -2756.00721828 p = -1151.77658831
                                d =  -210.32176176
       valence  contribution :  s =    -0.66295944 p =    -0.28095033
                                d =    -0.01434648 f =    -0.00368571
                                ns      0.00039914
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.17894529
                                   band energy per atom :   -1.8683851983

     coulomb  contribution :   0   5302.11958768  1     -0.00500653
                               2     -0.00002562  3     -0.00194285
                               4     -0.00024880  5     -0.00030557
                               6      0.00001056
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.11206887

     ex.-cor. contribution :   0   -339.76387749  1      0.01206452
                               2     -0.00358076  3     -0.01363600
                               4     -0.01398683  5      0.00202123
                               6     -0.00002873
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78102406

     eff. pot. contribution     : -10305.81746752
     total double counting contribution                 :  -5343.48642272

   Total contribution of atom 18 =-13580.66536800
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.85038532 p = -1151.42372779
                                d =  -209.93087863
       valence  contribution :  s =    -0.63611824 p =    -0.25349711
                                d =    -0.01394624 f =    -0.00360252
                                ns      0.00033263
     single particle energies  spin  up    
         core   contribution :  s = -2756.00721828 p = -1151.77658831
                                d =  -210.32176176
       valence  contribution :  s =    -0.66296119 p =    -0.28093776
                                d =    -0.01434639 f =    -0.00368579
                                ns      0.00039976
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.17892294
                                   band energy per atom :   -1.8683628455

     coulomb  contribution :   0   5302.11937793  1     -0.00500456
                               2     -0.00003279  3     -0.00194300
                               4     -0.00025064  5     -0.00030536
                               6      0.00001054
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.11185213

     ex.-cor. contribution :   0   -339.76385715  1      0.01206504
                               2     -0.00358372  3     -0.01363349
                               4     -0.01398770  5      0.00202132
                               6     -0.00002874
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78100444

     eff. pot. contribution     : -10305.81717073
     total double counting contribution                 :  -5343.48632305

   Total contribution of atom 19 =-13580.66524599
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.85038532 p = -1151.42372779
                                d =  -209.93087863
       valence  contribution :  s =    -0.63611404 p =    -0.25350870
                                d =    -0.01394591 f =    -0.00360235
                                ns      0.00033217
     single particle energies  spin  up    
         core   contribution :  s = -2756.00721828 p = -1151.77658831
                                d =  -210.32176176
       valence  contribution :  s =    -0.66295688 p =    -0.28094895
                                d =    -0.01434607 f =    -0.00368562
                                ns      0.00039920
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.17893727
                                   band energy per atom :   -1.8683771692

     coulomb  contribution :   0   5302.11925896  1     -0.00500734
                               2     -0.00003035  3     -0.00194252
                               4     -0.00025014  5     -0.00030547
                               6      0.00001057
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.11173372

     ex.-cor. contribution :   0   -339.76386592  1      0.01206396
                               2     -0.00358154  3     -0.01362933
                               4     -0.01399014  5      0.00202144
                               6     -0.00002872
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78101026

     eff. pot. contribution     : -10305.81706143
     total double counting contribution                 :  -5343.48633797

   Total contribution of atom 20 =-13580.66527524
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.85038532 p = -1151.42372779
                                d =  -209.93087863
       valence  contribution :  s =    -0.63611404 p =    -0.25350870
                                d =    -0.01394591 f =    -0.00360235
                                ns      0.00033217
     single particle energies  spin  up    
         core   contribution :  s = -2756.00721828 p = -1151.77658831
                                d =  -210.32176176
       valence  contribution :  s =    -0.66295688 p =    -0.28094895
                                d =    -0.01434607 f =    -0.00368562
                                ns      0.00039920
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.17893726
                                   band energy per atom :   -1.8683771687

     coulomb  contribution :   0   5302.11925892  1     -0.00500734
                               2     -0.00003035  3     -0.00194252
                               4     -0.00025014  5     -0.00030547
                               6      0.00001057
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.11173368

     ex.-cor. contribution :   0   -339.76386590  1      0.01206396
                               2     -0.00358154  3     -0.01362981
                               4     -0.01399022  5      0.00202144
                               6     -0.00002872
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78101079

     eff. pot. contribution     : -10305.81706140
     total double counting contribution                 :  -5343.48633851

   Total contribution of atom 21 =-13580.66527577
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.80224001 p = -1151.31185551
                                d =  -209.79502514
       valence  contribution :  s =    -0.61945401 p =    -0.23439366
                                d =    -0.01218313 f =    -0.00326671
                                ns     -0.00939995
     single particle energies  spin  up    
         core   contribution :  s = -2755.95907418 p = -1151.66472947
                                d =  -210.18621730
       valence  contribution :  s =    -0.64736893 p =    -0.26297644
                                d =    -0.01257037 f =    -0.00335425
                                ns     -0.00957546
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.53368449
                                   band energy per atom :   -1.8145428937

     coulomb  contribution :   0   5314.24510638  1     -0.00049457
                               2      0.00067249  3     -0.00001391
                               4     -0.00211355  5     -0.00000351
                               6     -0.00004380
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.24310952

     ex.-cor. contribution :   0   -339.79987775  1     -0.00001566
                               2     -0.00964482  3     -0.00016467
                               4     -0.03798930  5     -0.00000013
                               6      0.00016041
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84753192

     eff. pot. contribution     : -10318.64760740
     total double counting contribution                 :  -5344.25202980

   Total contribution of atom 22 =-13580.78571428
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.80224001 p = -1151.31185551
                                d =  -209.79502514
       valence  contribution :  s =    -0.61945390 p =    -0.23439350
                                d =    -0.01218312 f =    -0.00326664
                                ns     -0.00940015
     single particle energies  spin  up    
         core   contribution :  s = -2755.95907418 p = -1151.66472947
                                d =  -210.18621730
       valence  contribution :  s =    -0.64736885 p =    -0.26297603
                                d =    -0.01257044 f =    -0.00335421
                                ns     -0.00957560
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.53368405
                                   band energy per atom :   -1.8145424507

     coulomb  contribution :   0   5314.24571019  1     -0.00049471
                               2      0.00068350  3     -0.00001401
                               4     -0.00211343  5     -0.00000352
                               6     -0.00004380
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.24372421

     ex.-cor. contribution :   0   -339.79989307  1     -0.00001567
                               2     -0.00964562  3     -0.00016118
                               4     -0.03799186  5     -0.00000013
                               6      0.00016042
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84754710

     eff. pot. contribution     : -10318.64821386
     total double counting contribution                 :  -5344.25203675

   Total contribution of atom 23 =-13580.78572080
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.80224001 p = -1151.31185551
                                d =  -209.79502514
       valence  contribution :  s =    -0.61945390 p =    -0.23439350
                                d =    -0.01218312 f =    -0.00326664
                                ns     -0.00940015
     single particle energies  spin  up    
         core   contribution :  s = -2755.95907418 p = -1151.66472947
                                d =  -210.18621730
       valence  contribution :  s =    -0.64736885 p =    -0.26297603
                                d =    -0.01257044 f =    -0.00335421
                                ns     -0.00957560
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.53368405
                                   band energy per atom :   -1.8145424507

     coulomb  contribution :   0   5314.24571039  1     -0.00049471
                               2      0.00068350  3     -0.00001401
                               4     -0.00211343  5     -0.00000352
                               6     -0.00004380
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.24372442

     ex.-cor. contribution :   0   -339.79989305  1     -0.00001567
                               2     -0.00964526  3     -0.00016453
                               4     -0.03798850  5     -0.00000013
                               6      0.00016042
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84754672

     eff. pot. contribution     : -10318.64821406
     total double counting contribution                 :  -5344.25203636

   Total contribution of atom 24 =-13580.78572041
                                   sum of band energies :  -33.7509406185
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.12907129
                                eV  : -3231120.74591810
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:41:33:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            3
25.03.2020 19:41:33:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is  -3.765215669394673E-011  4.861109099986868E-007
  8.934566299202817E-002
 magnetic moment2 is  -3.765295277029185E-011  4.861109053328389E-007
 -4.390432874780192E-002
 magnetic moment is   4.841917933761340E-011  3.435597350103777E-004
  2.201099344762925E-002
 magnetic moment2 is   4.841917933761340E-011  3.435597350103777E-004
 -4.153852156127930E-003
 magnetic moment is   2.982037123638940E-004 -1.716076666231699E-004
  2.201267702003062E-002
 magnetic moment2 is   2.982037123638940E-004 -1.716076666231699E-004
 -4.152425407479815E-003
 magnetic moment is  -2.982036545851491E-004 -1.716076901395853E-004
  2.201267762677506E-002
 magnetic moment2 is  -2.982036545851491E-004 -1.716076901395853E-004
 -4.152424853569814E-003
 magnetic moment is  -2.242268957314275E-011 -4.330326083846996E-004
  2.171626975801366E-002
 magnetic moment2 is  -2.242268957314275E-011 -4.330326083846996E-004
 -6.723302529104871E-003
 magnetic moment is  -3.752746832581280E-004  2.165558956645012E-004
  2.171021616959989E-002
 magnetic moment2 is  -3.752746832581280E-004  2.165558956645012E-004
 -6.729207798175214E-003
 magnetic moment is   3.752747196581932E-004  2.165559219948148E-004
  2.171021684801933E-002
 magnetic moment2 is   3.752747196581932E-004  2.165559219948148E-004
 -6.729207142779532E-003
 magnetic moment is  -8.813186066794690E-012  3.115729926838339E-008
  2.150342907559033E-002
 magnetic moment2 is  -8.813186066794690E-012  3.115729926838339E-008
 -7.042475722098818E-003
 magnetic moment is  -1.121056679019745E-010 -5.722337999350334E-004
  7.788828436706519E-002
 magnetic moment2 is  -1.121102257523824E-010 -5.728307408673723E-004
 -3.582042642359567E-002
 magnetic moment is  -4.964834231536211E-004  2.864358795127531E-004
  7.787776617862630E-002
 magnetic moment2 is  -4.970004274044129E-004  2.867342925822513E-004
 -3.583094013959431E-002
 magnetic moment is   4.964834384666739E-004  2.864358993569670E-004
  7.787776841663341E-002
 magnetic moment2 is   4.970004427457702E-004  2.867343124087749E-004
 -3.583093793785119E-002
 magnetic moment is   9.070307434440793E-012  2.165597837964132E-008
  2.348017498533772E-002
 magnetic moment2 is   9.070307434440793E-012  2.165597837964132E-008
 -3.508584546209115E-003
 magnetic moment is   5.112712624143548E-011  2.375299571523066E-004
  0.113844195203624     
 magnetic moment2 is   5.112653573072223E-011  2.376116377165916E-004
  7.754987544033226E-003
 magnetic moment is   2.058673391757710E-004 -1.189563731789051E-004
  0.113840478891667     
 magnetic moment2 is   2.059386709163450E-004 -1.189988502957589E-004
  7.751300988487211E-003
 magnetic moment is  -2.058673294199428E-004 -1.189564180811187E-004
  0.113840479325933     
 magnetic moment2 is  -2.059386611691766E-004 -1.189988951980993E-004
  7.751301421873066E-003
 magnetic moment is  -3.965003436305047E-004  4.186564397879567E-004
  0.100137588531449     
 magnetic moment2 is  -3.964773536605607E-004  4.186122276856698E-004
 -5.733400846256509E-003
 magnetic moment is   1.644700874259044E-004 -5.526816130523481E-004
  0.100132052439311     
 magnetic moment2 is   1.644438041552756E-004 -5.526393427820659E-004
 -5.738995394544089E-003
 magnetic moment is  -1.644700549971524E-004 -5.526815108194675E-004
  0.100132053028417     
 magnetic moment2 is  -1.644437717282942E-004 -5.526392405507264E-004
 -5.738994803010794E-003
 magnetic moment is   3.965003602934478E-004  4.186563814335095E-004
  0.100137588453204     
 magnetic moment2 is   3.964773703189455E-004  4.186121693344342E-004
 -5.733400917619369E-003
 magnetic moment is   5.603399281851093E-004  1.339848688481375E-004
  0.100146981219897     
 magnetic moment2 is   5.602894763474481E-004  1.339861863378629E-004
 -5.724049749279564E-003
 magnetic moment is  -5.603398734438209E-004  1.339848374191309E-004
  0.100146981847312     
 magnetic moment2 is  -5.602894216083544E-004  1.339861549075284E-004
 -5.724049126466457E-003
 magnetic moment is  -5.207502391270640E-012 -2.656794763842932E-004
  0.105193769352668     
 magnetic moment2 is  -5.230449980872824E-012 -2.656718793067259E-004
 -8.306902543662009E-003
 magnetic moment is  -2.288875857472428E-004  1.325853885213303E-004
  0.105184416639780     
 magnetic moment2 is  -2.288862128347813E-004  1.325845960521916E-004
 -8.316311345883259E-003
 magnetic moment is   2.288876386911009E-004  1.325853918657745E-004
  0.105184416818120     
 magnetic moment2 is   2.288862657785034E-004  1.325845993968190E-004
 -8.316311160020060E-003
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.47620111  0.49031436    0.0141
          p =  0.15861437  0.18173509    0.0231
          d =  4.43750895  4.49044294    0.0529
          f =  0.01015163  0.01070272    0.0006
          ns  -0.01766711 -0.01904050   -0.0014
          ------------------------------------
          TOT  5.06480895  5.15415461    0.0893
                          10.21896356
   ========================== 
      2   s =  0.24738081  0.25744841    0.0101
          p =  0.32372340  0.33349124    0.0098
          d =  0.17224746  0.17766579    0.0054
          f =  0.06627164  0.06898958    0.0027
          ns  -0.12903267 -0.13499338   -0.0060
          ------------------------------------
          TOT  0.68059065  0.70260164    0.0220
                           1.38319229
   ========================== 
      3   s =  0.24732591  0.25739886    0.0101
          p =  0.32358626  0.33335563    0.0098
          d =  0.17215959  0.17757349    0.0054
          f =  0.06623920  0.06895384    0.0027
          ns  -0.12891711 -0.13487529   -0.0060
          ------------------------------------
          TOT  0.68039385  0.70240652    0.0220
                           1.38280037
   ========================== 
      4   s =  0.24732591  0.25739886    0.0101
          p =  0.32358626  0.33335563    0.0098
          d =  0.17215959  0.17757349    0.0054
          f =  0.06623919  0.06895384    0.0027
          ns  -0.12891711 -0.13487529   -0.0060
          ------------------------------------
          TOT  0.68039384  0.70240652    0.0220
                           1.38280036
   ========================== 
      5   s =  0.16412468  0.17299505    0.0089
          p =  0.21516537  0.22350451    0.0083
          d =  0.11029904  0.11449198    0.0042
          f =  0.03826798  0.03993945    0.0017
          ns  -0.02538996 -0.02674761   -0.0014
          ------------------------------------
          TOT  0.50246710  0.52418337    0.0217
                           1.02665047
   ========================== 
      6   s =  0.16409948  0.17296735    0.0089
          p =  0.21516382  0.22349962    0.0083
          d =  0.11031594  0.11450818    0.0042
          f =  0.03827278  0.03994449    0.0017
          ns  -0.02539056 -0.02674797   -0.0014
          ------------------------------------
          TOT  0.50246146  0.52417168    0.0217
                           1.02663314
   ========================== 
      7   s =  0.16409948  0.17296735    0.0089
          p =  0.21516382  0.22349962    0.0083
          d =  0.11031594  0.11450818    0.0042
          f =  0.03827278  0.03994449    0.0017
          ns  -0.02539056 -0.02674797   -0.0014
          ------------------------------------
          TOT  0.50246146  0.52417168    0.0217
                           1.02663314
   ========================== 
      8   s =  0.21372571  0.22219678    0.0085
          p =  0.28444185  0.29270461    0.0083
          d =  0.14539872  0.15077350    0.0054
          f =  0.04179262  0.04469607    0.0029
          ns  -0.04560549 -0.04911412   -0.0035
          ------------------------------------
          TOT  0.63975341  0.66125684    0.0215
                           1.30101025
   ========================== 
      9   s =  0.82550730  0.83956840    0.0141
          p =  0.79468395  0.85577935    0.0611
          d =  0.08543844  0.08774215    0.0023
          f =  0.02079849  0.02118391    0.0004
          ns   0.01076143  0.01080408    0.0000
          ------------------------------------
          TOT  1.73718961  1.81507789    0.0779
                           3.55226750
   ========================== 
     10   s =  0.82551168  0.83957639    0.0141
          p =  0.79456417  0.85564346    0.0611
          d =  0.08544081  0.08774569    0.0023
          f =  0.02080170  0.02118724    0.0004
          ns   0.01076661  0.01080995    0.0000
          ------------------------------------
          TOT  1.73708497  1.81496274    0.0779
                           3.55204771
   ========================== 
     11   s =  0.82551168  0.83957639    0.0141
          p =  0.79456417  0.85564347    0.0611
          d =  0.08544081  0.08774569    0.0023
          f =  0.02080170  0.02118724    0.0004
          ns   0.01076661  0.01080995    0.0000
          ------------------------------------
          TOT  1.73708497  1.81496274    0.0779
                           3.55204771
   ========================== 
     12   s =  0.23551999  0.24559440    0.0101
          p =  0.31016454  0.32064644    0.0105
          d =  0.15988592  0.16620900    0.0063
          f =  0.05196316  0.05496379    0.0030
          ns  -0.11411990 -0.12051976   -0.0064
          ------------------------------------
          TOT  0.64341370  0.66689387    0.0235
                           1.31030757
   ========================== 
     13   s =  0.84908625  0.85695844    0.0079
          p =  1.26627777  1.37253954    0.1063
          d =  0.04972365  0.05002341    0.0003
          f =  0.01181599  0.01183893    0.0000
          ns   0.00250801  0.00189555   -0.0006
          ------------------------------------
          TOT  2.17941167  2.29325586    0.1138
                           4.47266753
   ========================== 
     14   s =  0.84908127  0.85695508    0.0079
          p =  1.26624025  1.37249636    0.1063
          d =  0.04972417  0.05002417    0.0003
          f =  0.01181680  0.01183956    0.0000
          ns   0.00251247  0.00190027   -0.0006
          ------------------------------------
          TOT  2.17937496  2.29321543    0.1138
                           4.47259039
   ========================== 
     15   s =  0.84908127  0.85695508    0.0079
          p =  1.26624025  1.37249636    0.1063
          d =  0.04972417  0.05002417    0.0003
          f =  0.01181680  0.01183956    0.0000
          ns   0.00251247  0.00190027   -0.0006
          ------------------------------------
          TOT  2.17937496  2.29321544    0.1138
                           4.47259039
   ========================== 
     16   s =  0.84971708  0.85786517    0.0081
          p =  1.29625788  1.38781196    0.0916
          d =  0.04969726  0.05048511    0.0008
          f =  0.01170362  0.01191996    0.0002
          ns   0.00341306  0.00284430   -0.0006
          ------------------------------------
          TOT  2.21078891  2.31092649    0.1001
                           4.52171540
   ========================== 
     17   s =  0.84970607  0.85785457    0.0081
          p =  1.29629218  1.38783962    0.0915
          d =  0.04969776  0.05048615    0.0008
          f =  0.01170219  0.01191881    0.0002
          ns   0.00341599  0.00284709   -0.0006
          ------------------------------------
          TOT  2.21081420  2.31094625    0.1001
                           4.52176045
   ========================== 
     18   s =  0.84970607  0.85785457    0.0081
          p =  1.29629219  1.38783962    0.0915
          d =  0.04969776  0.05048615    0.0008
          f =  0.01170219  0.01191881    0.0002
          ns   0.00341599  0.00284709   -0.0006
          ------------------------------------
          TOT  2.21081420  2.31094625    0.1001
                           4.52176045
   ========================== 
     19   s =  0.84971708  0.85786517    0.0081
          p =  1.29625788  1.38781196    0.0916
          d =  0.04969726  0.05048511    0.0008
          f =  0.01170362  0.01191996    0.0002
          ns   0.00341306  0.00284430   -0.0006
          ------------------------------------
          TOT  2.21078891  2.31092650    0.1001
                           4.52171541
   ========================== 
     20   s =  0.84970526  0.85785483    0.0081
          p =  1.29628037  1.38784204    0.0916
          d =  0.04970106  0.05048924    0.0008
          f =  0.01170362  0.01191985    0.0002
          ns   0.00341607  0.00284740   -0.0006
          ------------------------------------
          TOT  2.21080638  2.31095336    0.1001
                           4.52175975
   ========================== 
     21   s =  0.84970526  0.85785483    0.0081
          p =  1.29628037  1.38784204    0.0916
          d =  0.04970106  0.05048924    0.0008
          f =  0.01170362  0.01191985    0.0002
          ns   0.00341607  0.00284740   -0.0006
          ------------------------------------
          TOT  2.21080638  2.31095336    0.1001
                           4.52175975
   ========================== 
     22   s =  0.84104398  0.85027535    0.0092
          p =  1.33401803  1.42972740    0.0957
          d =  0.04756641  0.04847240    0.0009
          f =  0.01210044  0.01218934    0.0001
          ns   0.02274917  0.02200732   -0.0007
          ------------------------------------
          TOT  2.25747804  2.36267181    0.1052
                           4.62014984
   ========================== 
     23   s =  0.84104715  0.85027809    0.0092
          p =  1.33402979  1.42972995    0.0957
          d =  0.04756723  0.04847309    0.0009
          f =  0.01210029  0.01218973    0.0001
          ns   0.02274977  0.02200779   -0.0007
          ------------------------------------
          TOT  2.25749422  2.36267864    0.1052
                           4.62017287
   ========================== 
     24   s =  0.84104715  0.85027809    0.0092
          p =  1.33402979  1.42972996    0.0957
          d =  0.04756723  0.04847309    0.0009
          f =  0.01210029  0.01218973    0.0001
          ns   0.02274976  0.02200779   -0.0007
          ------------------------------------
          TOT  2.25749423  2.36267864    0.1052
                           4.62017287
 
############################################
 
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   78.218961
       spin moment in wigner seitz cell =    0.089346
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.218961
                              spin magnetic moment =     0.089346
 
  Atom    2 charge in wigner seitz cell =    1.383190
       spin moment in wigner seitz cell =    0.022011
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.383190
                              spin magnetic moment =     0.022011
 
  Atom    3 charge in wigner seitz cell =    1.382798
       spin moment in wigner seitz cell =    0.022013
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.382798
                              spin magnetic moment =     0.022013
 
  Atom    4 charge in wigner seitz cell =    1.382798
       spin moment in wigner seitz cell =    0.022013
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.382798
                              spin magnetic moment =     0.022013
 
  Atom    5 charge in wigner seitz cell =    1.026650
       spin moment in wigner seitz cell =    0.021716
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.026650
                              spin magnetic moment =     0.021716
 
  Atom    6 charge in wigner seitz cell =    1.026632
       spin moment in wigner seitz cell =    0.021710
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.026632
                              spin magnetic moment =     0.021710
 
  Atom    7 charge in wigner seitz cell =    1.026632
       spin moment in wigner seitz cell =    0.021710
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.026632
                              spin magnetic moment =     0.021710
 
  Atom    8 charge in wigner seitz cell =    1.301007
       spin moment in wigner seitz cell =    0.021503
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.301007
                              spin magnetic moment =     0.021503
 
  Atom    9 charge in wigner seitz cell =   49.552265
       spin moment in wigner seitz cell =    0.077888
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.447735
                              spin magnetic moment =     0.077888
 
  Atom   10 charge in wigner seitz cell =   49.552045
       spin moment in wigner seitz cell =    0.077878
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.447955
                              spin magnetic moment =     0.077878
 
  Atom   11 charge in wigner seitz cell =   49.552045
       spin moment in wigner seitz cell =    0.077878
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.447955
                              spin magnetic moment =     0.077878
 
  Atom   12 charge in wigner seitz cell =    1.310305
       spin moment in wigner seitz cell =    0.023480
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =     1.310305
                              spin magnetic moment =     0.023480
 
  Atom   13 charge in wigner seitz cell =   50.472665
       spin moment in wigner seitz cell =    0.113844
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.527335
                              spin magnetic moment =     0.113844
 
  Atom   14 charge in wigner seitz cell =   50.472588
       spin moment in wigner seitz cell =    0.113840
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.527412
                              spin magnetic moment =     0.113840
 
  Atom   15 charge in wigner seitz cell =   50.472588
       spin moment in wigner seitz cell =    0.113840
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.527412
                              spin magnetic moment =     0.113840
 
  Atom   16 charge in wigner seitz cell =   50.521713
       spin moment in wigner seitz cell =    0.100138
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.478287
                              spin magnetic moment =     0.100138
 
  Atom   17 charge in wigner seitz cell =   50.521758
       spin moment in wigner seitz cell =    0.100132
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.478242
                              spin magnetic moment =     0.100132
 
  Atom   18 charge in wigner seitz cell =   50.521758
       spin moment in wigner seitz cell =    0.100132
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.478242
                              spin magnetic moment =     0.100132
 
  Atom   19 charge in wigner seitz cell =   50.521713
       spin moment in wigner seitz cell =    0.100138
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.478287
                              spin magnetic moment =     0.100138
 
  Atom   20 charge in wigner seitz cell =   50.521757
       spin moment in wigner seitz cell =    0.100147
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.478243
                              spin magnetic moment =     0.100147
 
  Atom   21 charge in wigner seitz cell =   50.521757
       spin moment in wigner seitz cell =    0.100147
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.478243
                              spin magnetic moment =     0.100147
 
  Atom   22 charge in wigner seitz cell =   50.620148
       spin moment in wigner seitz cell =    0.105194
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.379852
                              spin magnetic moment =     0.105194
 
  Atom   23 charge in wigner seitz cell =   50.620171
       spin moment in wigner seitz cell =    0.105184
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.379829
                              spin magnetic moment =     0.105184
 
  Atom   24 charge in wigner seitz cell =   50.620171
       spin moment in wigner seitz cell =    0.105184
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   3 charge neutrality in unit cell =    -1.379829
                              spin magnetic moment =     0.105184
 
                    TOTAL mag. moment in unit cell =     1.757067
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:45:06:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:06:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.2892D+00  ,  v+ - v- =  1.4901D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  5.5707D-02  ,  v+ - v- =  5.2953D-04
      rms-error for atom  2 :v+ + v- =  2.8183D-01  ,  v+ - v- =  1.4586D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.9939D-01  ,  v+ - v- =  5.2873D-04
      rms-error for atom  3 :v+ + v- =  2.8163D-01  ,  v+ - v- =  1.4585D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.9953D-01  ,  v+ - v- =  5.2952D-04
      rms-error for atom  4 :v+ + v- =  2.8163D-01  ,  v+ - v- =  1.4585D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.9953D-01  ,  v+ - v- =  5.2952D-04
      rms-error for atom  5 :v+ + v- =  2.3233D-01  ,  v+ - v- =  1.7251D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.7200D-01  ,  v+ - v- =  3.2519D-04
      rms-error for atom  6 :v+ + v- =  2.3244D-01  ,  v+ - v- =  1.7251D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.7209D-01  ,  v+ - v- =  3.2514D-04
      rms-error for atom  7 :v+ + v- =  2.3244D-01  ,  v+ - v- =  1.7251D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.7209D-01  ,  v+ - v- =  3.2514D-04
      rms-error for atom  8 :v+ + v- =  2.1134D-01  ,  v+ - v- =  1.6030D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.8407D-01  ,  v+ - v- =  5.8932D-04
      rms-error for atom  9 :v+ + v- =  1.8288D-01  ,  v+ - v- =  1.7008D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.5631D-01  ,  v+ - v- =  5.8471D-04
      rms-error for atom 10 :v+ + v- =  1.8285D-01  ,  v+ - v- =  1.7008D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.5636D-01  ,  v+ - v- =  5.8452D-04
      rms-error for atom 11 :v+ + v- =  1.8285D-01  ,  v+ - v- =  1.7008D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.5636D-01  ,  v+ - v- =  5.8452D-04
      rms-error for atom 12 :v+ + v- =  1.4567D-01  ,  v+ - v- =  1.4468D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.3773D-01  ,  v+ - v- =  6.0835D-04
      rms-error for atom 13 :v+ + v- =  7.9435D-02  ,  v+ - v- =  1.3900D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  9.1326D-02  ,  v+ - v- =  4.5771D-04
      rms-error for atom 14 :v+ + v- =  7.9329D-02  ,  v+ - v- =  1.3900D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  9.1369D-02  ,  v+ - v- =  4.5777D-04
      rms-error for atom 15 :v+ + v- =  7.9329D-02  ,  v+ - v- =  1.3900D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  9.1369D-02  ,  v+ - v- =  4.5777D-04
      rms-error for atom 16 :v+ + v- =  4.1274D-02  ,  v+ - v- =  1.4100D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  3.9506D-02  ,  v+ - v- =  4.7896D-04
      rms-error for atom 17 :v+ + v- =  4.1389D-02  ,  v+ - v- =  1.4100D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  3.9625D-02  ,  v+ - v- =  4.7787D-04
      rms-error for atom 18 :v+ + v- =  4.1389D-02  ,  v+ - v- =  1.4100D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  3.9625D-02  ,  v+ - v- =  4.7787D-04
      rms-error for atom 19 :v+ + v- =  4.1274D-02  ,  v+ - v- =  1.4100D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  3.9506D-02  ,  v+ - v- =  4.7896D-04
      rms-error for atom 20 :v+ + v- =  4.1289D-02  ,  v+ - v- =  1.4100D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  3.9551D-02  ,  v+ - v- =  4.7979D-04
      rms-error for atom 21 :v+ + v- =  4.1289D-02  ,  v+ - v- =  1.4100D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  3.9551D-02  ,  v+ - v- =  4.7979D-04
      rms-error for atom 22 :v+ + v- =  3.1953D-02  ,  v+ - v- =  1.5344D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  3.9192D-02  ,  v+ - v- =  3.4158D-04
      rms-error for atom 23 :v+ + v- =  3.1965D-02  ,  v+ - v- =  1.5344D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  3.9342D-02  ,  v+ - v- =  3.4155D-04
      rms-error for atom 24 :v+ + v- =  3.1965D-02  ,  v+ - v- =  1.5344D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  3.9342D-02  ,  v+ - v- =  3.4155D-04
      ITERATION   3 average rms-error : v+ + v- =  3.3147D-01
                                        v+ - v- =  1.5236D-02
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  8.461020668104676E-006
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  7.186836831949447E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.133041782162702E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  1.868567641289570E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.746994725499174E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.484993060381717E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  1.101411081125884E-010
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  2.218290881674393E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  1.111684248581572E-010
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.172759096080288E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  8.701188842371603E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.941803174543953E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  9.242367950165021E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  7.469931168774128E-007
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  2.042132763659913E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  2.153387360496819E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.978731428777382E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  1.541076354628474E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  9.522299747263536E-007
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.751278275560266E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.501161236516562E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  3.867583822297979E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.601989493235447E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  6.614361792402841E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.908066219363863E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  9.939856726811926E-007
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.352900766970633E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.189839137303517E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  4.544622604066054E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  1.073445320491134E-010
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  3.291746698854206E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  5.886948831786000E-007
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  9.794142756210613E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  4.760213124731418E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.288203930650328E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  6.975720342045900E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.010923367035586E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  4.636422003199474E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  7.141669999322059E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  6.894023069679545E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  1.177386714431323E-010
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.084209172230684E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  6.985800829456565E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.063404430990984E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.211519540956542E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.016292166967148E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.598472996550565E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.473700388524226E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.929264616470661E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  2.321095492420765E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.385233534791022E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  8.607139652996086E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.162384102708155E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.060693323952816E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  2.583310735675699E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.342307979824404E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.549080580374584E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.204193336920379E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  1.613991366391813E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.373518898580367E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.932603125775178E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  2.856160322971385E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  1.158532915523448E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.816007044280789E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  3.146016026232003E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  1.639559394078727E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  2.676281577269643E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.161102671893907E-003
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  2.011254166537815E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  2.270152633907935E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  1.357081115671521E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  2.419759664056076E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  1.291893225949178E-003
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  1.398428476931169E-003
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  1.855979247180530E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  8.069787764102866E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  8.538727625169173E-008
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  1.669122580745148E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  2.237380762526497E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  2.856160134146976E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  1.158192248216996E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.816007002747290E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  3.146016060920137E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  1.633651629472073E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  2.676281504456181E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.161102631316672E-003
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  2.011254134125319E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  2.270152550865575E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  1.356859623926412E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  2.418672879797049E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  1.291893218621876E-003
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  1.398428451999681E-003
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  1.855979181349758E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  8.069787553720148E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  8.534775403294345E-008
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  1.669122520118672E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  2.237380814331462E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  5.747703115271873E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  5.670022381531003E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.075419583563013E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  2.968082157390136E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.889277977393534E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  2.865382623133127E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  5.458854919662448E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.837685448861190E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.275580096012261E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.129204845305604E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  2.654411217452489E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.419104450831476E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  1.878210236220320E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.687098947428634E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  2.444364184919858E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  5.941260861404156E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  2.578252454327178E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  4.604483269312547E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  8.160459132223658E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  8.492019258716595E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  3.915387325796934E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  4.746077128414123E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  5.994065313777742E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.268195449621822E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  9.981352822786867E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  7.307137640775386E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  4.078511448600904E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  2.764250632334731E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.568970845313644E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  2.224945268688025E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  2.012719998983610E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  2.968126754227518E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  1.441008557669688E-003
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  2.866043631258586E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  2.346416893528289E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  2.563319965769098E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  2.116197974049708E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.625782357217334E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  1.326963320171601E-003
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  2.297956959981739E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  9.386199856198108E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  1.592527609950579E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  1.221797464024184E-003
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.688035771171793E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  2.578514340474507E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  8.161210249904757E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.506713448462832E-003
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  5.916511122974671E-007
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  2.957747943675711E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.730817095180544E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.926815010898823E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  2.392998789051012E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  3.651823398691467E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  6.333060948366841E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  1.381962401892401E-003
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  7.612860006650904E-008
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  1.112315076285388E-003
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  2.997914832469585E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  2.968126668702134E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  1.441008527014313E-003
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  2.866043544059825E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  2.346416834160440E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  2.563237563848665E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  2.116198057488254E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.625782371264859E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  1.326963293791952E-003
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  2.297957070873933E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  9.386199879679293E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  1.593231217424158E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  1.221797453265677E-003
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.688035726838405E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  2.578514290065914E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  8.161210023729711E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.506713406558169E-003
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  5.916359708217479E-007
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  2.959087471610966E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.730817070763609E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.926815233072133E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  2.392998816314478E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  3.651823111950590E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  6.333062321326103E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  1.381962385377602E-003
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  7.610614765245295E-008
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  1.112315045992122E-003
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  2.997915067467266E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.017201149768845E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.272649032464995E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.724154351114480E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  3.059470031872796E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  9.321708663390277E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  2.080266112498876E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.031434629489728E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  2.675060828217018E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.333579672334254E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  1.674170706845904E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.234690895457259E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.550497363329962E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.935757985777849E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  3.591475916824426E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.925818487369342E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  1.330400974381199E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.772604339406413E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  4.534500977391769E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  8.715845301727510E-007
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  9.090620732515159E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  4.146383944327930E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  6.553834232047980E-007
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.562548778178279E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  5.782382568571337E-007
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.283574014257308E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  1.568814220327006E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  6.027623203155457E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.169240163122208E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  3.905725496152192E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.054709107607800E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  6.153388814124472E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  2.981974534277300E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.639790113973932E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  7.473151494694695E-007
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.449535635049700E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  1.014299669712724E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.324825944526653E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  3.229784615132609E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  2.145635569159006E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  3.632342894268582E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  1.251825883438802E-010
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  2.177438569664925E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.174870214931597E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  5.990141651439817E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  7.307881961153803E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.581191931605322E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  1.962052755827574E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  3.959067597998817E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.550932067174325E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  5.738550066767962E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.456556233764861E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  1.822470883550830E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  1.289605588462933E-010
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  4.297375548990905E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  3.299737904557213E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  1.934633839492015E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  6.935581777502000E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  4.748401173812760E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.071039236213390E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  6.768381482129292E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.122039908483349E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  4.855716371846311E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  2.426591350506437E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.430709421762503E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  1.789113803780475E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.594099723335746E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  1.103829522210308E-003
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  1.732812655152839E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.088997742098067E-003
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  1.884837889598006E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  3.227586582148212E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  1.261578736974188E-003
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  1.342469048316539E-003
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  9.806226270711984E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  1.699109745597940E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  7.751750096233799E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  6.922935161664091E-007
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  7.278907065946784E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  9.097212357632205E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  1.676005845386210E-003
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  2.132439771774165E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  9.665798161642134E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  7.670374610576564E-007
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  2.250312737976748E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  1.578621378798067E-003
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  1.830441098505462E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  3.386903867016286E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  9.561573532952613E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  1.548916643313050E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  1.212999568554381E-003
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  2.101537811060798E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  8.945887205574029E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  2.108313851228069E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  5.516516224353013E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  5.857501301128763E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.088997669205203E-003
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  1.884837838826195E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  3.227657985386523E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  1.261578748948619E-003
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  1.342469096535448E-003
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  9.806225876716427E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  1.699109870449672E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  7.751749829847809E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  6.924546556897474E-007
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  7.278906750163918E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  9.097212143037046E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  1.676005886475665E-003
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  2.132439720964615E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  9.665798077264977E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  7.670629192916935E-007
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  2.250312681719293E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  1.578621416695207E-003
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  1.830885691984290E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  3.386903971863546E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  9.561574167090619E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  1.548916554100328E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  1.212999543981294E-003
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  2.101537803970153E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  8.945887092545194E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  2.109053412295233E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  5.516516005490653E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  5.857500027671085E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  5.283180360688312E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.583893369200731E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.734272155858839E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  6.121715446088797E-007
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.012013643443258E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  4.868039885162753E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.162329323272973E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.000474512996402E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  2.014304134488398E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  7.751501576502205E-007
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.528586890082398E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  3.014191504508833E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.031748841888393E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  3.592635480449735E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.890684857576534E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  7.708027704304054E-007
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.209502241824107E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  9.343668215858347E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  8.093504646289127E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.911642138997643E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.252802533569392E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  4.779863014458189E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.171131417413428E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  4.062397206104145E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.205302199850571E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.310551451548857E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.940758399478574E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.293562754760115E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  1.929934167737499E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.779523167627017E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.519222246392659E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.009225743634034E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.319657534049466E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  5.990459861085716E-007
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.042084755293222E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  3.339417222644807E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.316059523346705E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.693803015746128E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  1.781096767398734E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.285932251339896E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.382970644778819E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  8.867287190202939E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.258929928178143E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  1.018857401997623E-010
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.431873260334623E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.817397067856563E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  2.483361683798620E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.440239914522115E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  5.190842909890486E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.095050694534684E-003
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  8.836707427806974E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.533166600895409E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.258430610534177E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  7.752953547057525E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.106644401712663E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.052708990941683E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.800894801112545E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  2.221876268191064E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.069079475140699E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.039377619918667E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  9.556148820264297E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  9.950999885627772E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.213931381032642E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  9.524151129849264E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.874586385715171E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.014328967863565E-003
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.335669357003273E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  6.957978303220311E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  2.064832543066746E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.192613288234588E-003
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  2.068352612646592E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  1.668029104307022E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  9.485446066791260E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.242088510480608E-003
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  2.151335690301898E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.961243085867717E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  5.300937516728405E-007
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  5.478951283639693E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  4.423071448938547E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.924490651404906E-003
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.778516276919098E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  3.880169919917234E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  6.715206312381624E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.026557301335608E-003
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  2.032922971172830E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  1.111354215178433E-003
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  7.654233579905507E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  1.626323820176651E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  4.779250463911962E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  8.786247455359524E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  4.762716532699495E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  8.250597622565707E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  5.073668894150685E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  1.544366459684661E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.438156733102154E-003
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  8.278751240927313E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  2.064832139474914E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.192613284647072E-003
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  2.068352593572721E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  1.667129761940827E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  9.485444243989374E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.242088462258679E-003
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  2.151335937450402E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.961243058587418E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  5.299823186091214E-007
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  5.478951277214877E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  4.423071406770391E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.924490500732111E-003
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.778516321510755E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  3.880169734547125E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  6.715206503256770E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.026557278912895E-003
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  2.034100754467613E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  1.111354193654197E-003
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  7.654231824762178E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  1.624872470503740E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  4.779250392408262E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  8.786247925265400E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  4.762716508513624E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  8.250596849759559E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  5.073668792416470E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  1.543363497937017E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.438156705190534E-003
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  8.278751246538983E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  8.271184016888157E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  3.571488155150529E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  9.825768472710033E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  4.280136417518586E-004
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  9.471433063407598E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  3.301308682451784E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.149296071781072E-003
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  9.812553185208359E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  3.953092127011860E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  5.706540938940508E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  6.066026392191840E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  2.919751673579328E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  1.208070089752275E-003
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.210166854711226E-004
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.510161180431500E-003
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  8.847164634956234E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  8.503126124320607E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  2.487647269324709E-004
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  3.515364172573708E-004
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  5.040266445805722E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  7.016735434441698E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  5.725603745014415E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  1.152382931291149E-003
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.629160713561641E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  3.041100046232480E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  3.356477893225395E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  7.600956199942142E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  5.249335591390830E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  5.161207974611293E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  2.179271128860546E-004
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  5.140293305632709E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  9.372165571258581E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  1.099537003576947E-003
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  6.580371445669735E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  2.080202116615464E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  6.932000543830864E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  5.796169060619615E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  8.026126583828575E-004
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  6.901066399961833E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  7.308691462719218E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  9.295556466740022E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  9.810343579104586E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.133554752500293E-003
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  7.836018847538174E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  4.408505186841419E-004
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  5.102196129866866E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  1.084419520274900E-003
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.211852795476922E-004
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  1.075042781124492E-003
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  3.446333951946441E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  5.860562603664440E-004
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  5.118902901507469E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  5.648653379672060E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  2.432935163223391E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  5.416833784888497E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  5.727001433899534E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  1.308051831168997E-003
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  8.586966259061100E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  3.039756021990869E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  6.399623477456680E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  5.828119604071771E-004
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  2.131037187600223E-004
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  4.358416582463191E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  3.530286732926042E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  7.038216866582860E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  9.360769331796577E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  1.204403138295402E-003
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  3.710525545536239E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  2.080201566256480E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  6.932000225332962E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  5.796172480675686E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  8.026125177685876E-004
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  6.901066084358698E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  7.308690309118587E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  9.295555939202967E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  9.810341569217117E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.133554450903158E-003
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  7.836017564830176E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  4.408504961474603E-004
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  5.102193797385365E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  1.084419457990861E-003
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.211854069256850E-004
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  1.075042712719106E-003
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  3.446333886830896E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  5.860560355705810E-004
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  5.118900984731178E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  5.648652921910108E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  2.432933694779053E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  5.416833496489056E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  5.727003997881227E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  1.308051753319435E-003
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  8.586964004117651E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  3.039754048223831E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  6.399622965131815E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  5.828118372116352E-004
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  2.131037902598760E-004
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  4.358416357168215E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  3.530285388755604E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  7.038216382191210E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  9.360760513037676E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  1.204403065019670E-003
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  3.710523973343547E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  8.271183276096320E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  3.571483675574362E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  9.825767157919032E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  4.280137771974856E-004
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  9.471432198829550E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  3.301308312921386E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.149295976245827E-003
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  9.812554064957261E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  3.953094837294399E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  5.706542259550361E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  6.066025879533753E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  2.919749264254846E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  1.208069994580727E-003
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.210165511937905E-004
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.510161087454503E-003
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  8.847163895306636E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  8.503128116331469E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  2.487649080471263E-004
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  3.515363977168441E-004
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  5.040265455947979E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  7.016734910654426E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  5.725600716841799E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  1.152382853069435E-003
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.629159200070365E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  3.041101638074956E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  3.356477646736448E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  7.600957229449890E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  5.249334899442208E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  5.161207579325740E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  2.179272340703469E-004
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  5.140293005952399E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  9.372173356916108E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  1.099536930632961E-003
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  6.580369857954938E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  5.371750818310305E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.309038163757072E-003
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  2.334224926326259E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  8.709990075100380E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.196778190794425E-003
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  3.687568217251822E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  9.318862313008497E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  2.690808182205597E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  9.813055440480892E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  1.488345997367036E-003
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  1.318841005393940E-003
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  3.423066969113019E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  5.784483156206745E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  2.085793957977569E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.211023358598572E-004
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  4.678303362839593E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  6.124900278629250E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  1.418461470348317E-003
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  7.122442094700757E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  3.522674435013529E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  5.040921165680914E-004
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  2.139790410508938E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  5.723472493556392E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  2.004642065738971E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  6.877535739333345E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  3.040078309426667E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  5.444912334110565E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  1.328654713106397E-003
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  7.000122422654470E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.206722023192822E-004
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  5.465648948580634E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  2.259334205727712E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  9.366511466250717E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  1.514770011079862E-004
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  4.999158738322855E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  5.371750045395775E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.309038426925307E-003
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  2.334225042732872E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  8.709994144043262E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.196778062281242E-003
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  3.687568408678716E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  9.318861625332602E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  2.690808291911047E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  9.813056887531695E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  1.488345739348617E-003
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  1.318840886300648E-003
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  3.423067016852069E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  5.784482416480687E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  2.085794057204746E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.211022083437042E-004
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  4.678303498884097E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  6.124900381135572E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  1.418461263849806E-003
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  7.122440203392433E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  3.522674421150489E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  5.040921417517557E-004
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  2.139790485134756E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  5.723469625972509E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  2.004641959667034E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  6.877533889922147E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  3.040080096818108E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  5.444912343453897E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  1.328654604134829E-003
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  7.000123150751620E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.206722079521590E-004
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  5.465647673454598E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  2.259334151125921E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  9.366519791060752E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  1.514769908344918E-004
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  4.999159536061495E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  4.626152177328259E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.010164735347131E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.287180066172987E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  6.378305053354066E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  9.686154244475381E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  4.071404184816217E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  1.782667861614326E-003
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  3.023971001408844E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  5.460018192625503E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.832672605808087E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.247830730173234E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.137187801064236E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.175223148433631E-003
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.496238390299989E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  2.165133324847312E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.262647962851036E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  3.788284183930116E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  3.491183862018624E-004
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  7.243224091591261E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  1.021174970457349E-003
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.668869362462141E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  7.975782353245393E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  3.639366112433028E-004
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  8.843618927867255E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  5.647903281929288E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  1.900864164291186E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  9.198622984740778E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  5.339435688397308E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.678702215326724E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  2.972219240300201E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.639707191008025E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.284411306254270E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  4.707337354259503E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.422957158038185E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  3.654577110304961E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.242609951714171E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  3.983624297866058E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.340442378458508E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  5.513010888274824E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  1.179644718540442E-003
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  2.046164740049741E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  3.185623637110609E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  9.683959093600100E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  4.735699560443292E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  8.907846008398526E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  1.545185887569407E-003
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  2.730239359934165E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.177892670775001E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  3.304334136933835E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.868951360874230E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  5.893442814203824E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.022279634203060E-003
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  1.079632652469602E-004
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  8.703697779057522E-008
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.906215366082154E-004
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.747013369868835E-004
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  7.976574078271685E-004
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  1.020867626219969E-003
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  4.897498819347164E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  3.984340675127703E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  3.640205467406472E-004
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  6.911794107361074E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  2.826507529156698E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  1.442150725825496E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  4.601074654834601E-004
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  3.027908503120155E-004
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  2.706370276296740E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  1.488097364161118E-004
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  3.476076834591720E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  3.179154542706038E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  2.359410773891705E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  4.093469235003510E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  1.834733298161121E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  1.350843518328733E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  2.004326623767456E-004
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  2.577348707681689E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  5.513004456849778E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  1.179644700254047E-003
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  2.046163561038426E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  3.185623686243798E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  9.683958830034720E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  4.735699555993049E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  8.907845817761090E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  1.545185866767860E-003
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  2.730239330954363E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.177962678772754E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  3.304331825677840E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.868951210490842E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  5.893442685376209E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.022279153234365E-003
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  1.079632678711206E-004
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  8.715528706530711E-008
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.906215351370624E-004
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.747013390127283E-004
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  7.976574224492338E-004
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  1.020867595930150E-003
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  4.897499089305301E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  3.984340592400248E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  3.640205387025944E-004
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  6.911794059438868E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  2.826507550467600E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  1.442259993816612E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  4.601074656147399E-004
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  3.027908626160664E-004
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  2.708133476528281E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  1.488097377132552E-004
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  3.476073679355664E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  3.179151964413325E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  2.359410712930851E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  4.093468569410455E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  1.834733291725386E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  1.341931789308110E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  2.004326603877387E-004
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  2.577345909388993E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  8.250420141781009E-006
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  7.073764799218636E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.310665627955798E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.775507547568655E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.675203562355544E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.475006680576508E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  1.112352939186515E-010
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  2.310494100732877E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.198280169873513E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  1.160653716343911E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.474935751969694E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.937054029141541E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  9.196325697984309E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  7.487624167910415E-007
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  2.035443033266326E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  2.116135501803991E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  7.130885819284775E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  1.561239475737891E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  9.716603705222409E-007
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.728859658707046E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.494230601958971E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  3.563366158084692E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.748499244138746E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  6.499349390442772E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.946911691836540E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  9.620299845309226E-007
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.376916467716687E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.184118872642362E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  4.479924765668666E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  1.063554306545414E-010
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.314176091571124E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  5.755997739678474E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  9.704138253253669E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  4.634714728772538E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.295172712494570E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  6.644333482684271E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.039095003421654E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  4.873117443369589E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  7.562846530927443E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  6.966602138982761E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  1.228497615618194E-010
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.090642719779263E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  7.073556103163774E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.087221723736753E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.206366582534163E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.063755168340495E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.649135067230417E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.519059592378117E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.982555722996626E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  2.322534051610359E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.541829694445155E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.765373721071826E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.586792508239157E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.070586043867788E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  2.641393488341750E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.375929935847083E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.533261694709989E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.240459655878717E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  1.611457399332645E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.389865033871791E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  2.032432690067356E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  2.915555515383609E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  1.140665999332614E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  1.848141117474518E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  3.201726387804429E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  1.468939651868788E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  2.703955305161967E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  1.161801230804547E-003
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  2.012470755636062E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  2.278788194537945E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  1.337027630562606E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  2.387777469712720E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.320962800603042E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  1.396248157579333E-003
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  1.864946536450650E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  8.057401446090927E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  8.086540729592335E-008
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  1.664932090064620E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  2.287749693416276E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  2.915555327378908E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  1.140306726456461E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  1.848141071031110E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  3.201726427446431E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  1.463060201023681E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  2.703955228870468E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  1.161801190525573E-003
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  2.012470720942427E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  2.278788112727491E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  1.336683683294419E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  2.386659435879059E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.320962789257623E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  1.396248129595747E-003
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  1.864946470954165E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  8.057401236342156E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  8.082416190898086E-008
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  1.664932031443143E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  2.287749747741308E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  5.855053077308502E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  5.874572261475592E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  7.246943024466848E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  2.982019631744876E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.911664992737194E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  2.923812325553284E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  5.523801529653328E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.866024659549081E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.302937274157025E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.164822157385741E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  2.653556521978584E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.446137761264802E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  1.888729816013054E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.715966236353039E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  2.457651465741061E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  6.081683026085003E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  2.574183635103628E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  4.599729159527233E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  8.167857379233628E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  8.716999868433635E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  3.931106921130008E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  4.743015890622852E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  5.964798163468815E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.303526469735527E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  1.040330927311406E-010
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  7.191300220353625E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  4.086438889730306E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  2.794066981669031E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.571806621869573E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  2.247185139945808E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  2.075311702788183E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  2.982007518242803E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  1.440097224522644E-003
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  2.924409691449652E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  2.349897108282114E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  2.686982572170752E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  2.127693930264583E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.634871280847041E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  1.326498845752059E-003
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  2.297205924734979E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  9.438514594454669E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  1.663644667463859E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  1.228415911857337E-003
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.687111708546831E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  2.574431001502355E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  8.168741975991832E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.510187986288843E-003
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  6.103105104384541E-007
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  2.946432320328016E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.749173866117352E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.946057584198891E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  2.418778062221326E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  3.593845709333458E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  6.232768052464181E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.396831664205709E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  8.015953054801436E-008
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  1.123398506937878E-003
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  3.029740315266072E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  2.982007432626800E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  1.440097195144685E-003
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  2.924409607517211E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  2.349897046824604E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  2.686901808606809E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  2.127694018139432E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.634871296252867E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  1.326498815814550E-003
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  2.297206043185390E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  9.438514610951107E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  1.664355928566347E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  1.228415898726784E-003
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.687111664141655E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  2.574430949201882E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  8.168741733665380E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.510187944194786E-003
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  6.102951793174793E-007
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  2.947781208919843E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.749173837988073E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.946057809433507E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  2.418778092868599E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  3.593845409212341E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  6.232769411777345E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.396831644109951E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  8.013680699367059E-008
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  1.123398473519771E-003
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  3.029740554743171E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  1.061921246537272E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.341954956328259E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.798426101239879E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  3.189817140388644E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.503750883636287E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  2.368200789130851E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.036068766740279E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  2.847659057989525E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.368660425530319E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  1.803180193302016E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.259048294675118E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.581766516037523E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  7.015224272657262E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  3.507371535390386E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.954747800661772E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  1.385406842402486E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.813937787128505E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  4.859822567280742E-007
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  9.098531743276972E-007
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  9.263797265813937E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.358189079889761E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  6.672271916207093E-007
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.638817592342386E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  6.185235167774201E-007
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.372537726801445E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  1.640140662179079E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.247040409120844E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171283087084820E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  3.693281227305564E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.077865728833031E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.297592997477073E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  3.109861590401121E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.825354191992216E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  7.885280814415089E-007
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.450020333947070E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  1.065742674791883E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.359225930286078E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.297477642635505E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  2.177552074956610E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.531867893656291E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.337005430795782E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  2.149285170954200E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.166611420638137E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  6.353554025847053E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  7.321656212666075E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.820820795254203E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  1.948791037860321E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  3.812730858476305E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.545811312180755E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  5.558202941092271E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.462614258261877E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  1.796853372450775E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  1.308005653514548E-010
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  4.426926298667786E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  3.360651547519463E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  1.936515396301584E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  6.829280810103353E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  4.971748822328208E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.046376317422531E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  6.650393708807301E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.026828445361370E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  4.701664130941977E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  2.401576556518463E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.464138241457559E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  1.786661697502672E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.588367339435071E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  1.093013845206436E-003
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  1.730947064132680E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  1.074900015148053E-003
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  1.860379219441636E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  3.373292874017091E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  1.266848978206036E-003
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  1.337976679614026E-003
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  9.739968136762516E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  1.687619512247984E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  7.725992562538284E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  7.474924384843049E-007
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  7.308999480114195E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  8.968935416509107E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  1.677654981789516E-003
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  2.119899822522602E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  9.675149273177892E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  7.859926931001425E-007
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  2.247914702657507E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  1.556444047398207E-003
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  1.916772080645753E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  3.327838113800966E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  9.467814883556325E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  1.546761386106072E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  1.200486134190502E-003
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  2.079876995748791E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  8.933617429359279E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  2.186972715641640E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  5.462475076944628E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  5.755206552651811E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  1.074899942130880E-003
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  1.860379160616729E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  3.373360850887057E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  1.266848986729966E-003
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  1.337976726449334E-003
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  9.739967758038401E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  1.687619631290968E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  7.725992273564406E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  7.476525740273904E-007
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  7.308999149988780E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  8.968935208608351E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  1.677655023271585E-003
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  2.119899770749499E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  9.675149204828345E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  7.860179560995216E-007
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  2.247914649786816E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  1.556444084412371E-003
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  1.917223570934572E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  3.327838191953839E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  9.467815466096571E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  1.546761296875651E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  1.200486107437609E-003
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  2.079876984337318E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  8.933617292710676E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  2.187707206150713E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  5.462474861261592E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  5.755205337848050E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  5.223564257168966E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.893757949610309E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.805712781972408E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  6.252973888388445E-007
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.050157309389120E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  4.750197014486401E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.448988746938177E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.001652552684096E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.098378226489525E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  8.089298399209594E-007
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.619050271756804E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.048168476772718E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.029096998234828E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  3.529886410182883E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.891931745379306E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  7.715257251691751E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.219477837876362E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  9.430732255393365E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  8.053388338048884E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.952543343648374E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.497340589702175E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  4.843049128740012E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.003623472821198E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  4.002689053443743E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.242905638496788E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.310150950942620E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.321647687358172E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.293245002365448E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  1.914435722953722E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.579182307702339E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.571671208085254E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.012448813297840E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.475191452272315E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  5.925695147508427E-007
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.042416322329902E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  3.387106140747971E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.356980250428069E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.701318367955908E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.761674756760159E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.128688680234017E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.370902962088189E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.629862247420455E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.278483486459900E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  9.759162826394874E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.419935932951480E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.834589960754325E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  2.474478220516231E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.407712998299721E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  4.971103929285716E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  1.068969901649949E-003
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  8.541061483348497E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.541862578579541E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.258203344955297E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  7.602273819077231E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.098520277562407E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  2.058976165278899E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.798270446114621E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  2.179486912852162E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.074894543647650E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.021820712446376E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  9.526438692884090E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  1.011660817555314E-010
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.216815986952452E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  9.447673153440123E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.839170924000530E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.006490901489021E-003
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.238406574089007E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  6.847866743556873E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  2.054391370598727E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.186520411615436E-003
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  2.077038624672859E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  1.609392375136870E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  9.259611783174486E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.237668452013365E-003
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  2.143645306844894E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.947004039521494E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  5.158036349209657E-007
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  5.348578249059716E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.275321956201656E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.887785002620849E-003
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  1.783959192280194E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  3.805030063866708E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  6.584698006118881E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.029687155289574E-003
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  2.011096936526962E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  1.090185917558539E-003
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  7.398236176424409E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  1.590323160208712E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  4.764418211827306E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  8.718399516845881E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  4.724469556393764E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  8.184405626895413E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  5.034655245423014E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  1.506030856629572E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  1.419790521171884E-003
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  8.253066164107707E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  2.054390971053145E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.186520406682167E-003
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  2.077038604363488E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  1.608544133102320E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  9.259610020092228E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.237668403935578E-003
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  2.143645547898765E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.947004012985736E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  5.156987663620108E-007
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  5.348578248848680E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.275321924174045E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.887784851290308E-003
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  1.783959236712627E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  3.805029884616941E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  6.584698198267272E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.029687132490737E-003
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  2.012268963973782E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  1.090185897681702E-003
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  7.398234451312790E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  1.588895575391439E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  4.764418141335355E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  8.718399963500159E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  4.724469534094063E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  8.184404865480918E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  5.034655145078491E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  1.505053853600273E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  1.419790494441564E-003
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  8.253066150076820E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  8.029573271787778E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.111442472311592E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  8.570433447729547E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  3.932528556446249E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  9.173213541828192E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.254037618504945E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  1.142961500742886E-003
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  9.743889140178313E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  3.776642443305787E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  5.607565256117557E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  6.009551567030911E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  2.620792597821283E-004
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.186751222889242E-003
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.148247330937569E-004
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  1.466448866645913E-003
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  8.363671871904774E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  8.223546200801677E-004
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  2.451760329959611E-004
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  3.376353524894482E-004
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  4.849916153011256E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  6.705049647766012E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  5.746345449101275E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.114474100539150E-003
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  2.737949641057083E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  3.005988258089029E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  3.265662444157990E-004
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  7.158906705190330E-004
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  4.936489447293511E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  4.992855691220710E-004
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  2.147215529695283E-004
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  4.968901661969627E-004
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  9.499922918367729E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.064828522643591E-003
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  6.420213544524278E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  2.004329674833280E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  6.286915304571295E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  5.916680286673531E-004
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  8.165167018273936E-004
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  6.431881926966334E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  7.335969159924955E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  8.936019631337538E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  9.742524314223619E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  1.111026286336790E-003
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  7.733930598419427E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  4.331506329984042E-004
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  4.935092794030108E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  1.062819084919502E-003
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.149517697421593E-004
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.030788369051410E-003
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  3.154853132022192E-004
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  5.669413957720428E-004
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  4.892398399590799E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  5.444389421435106E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  2.311819467835214E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  5.210844804372720E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  5.747979703266913E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  1.265005549241003E-003
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  8.240802874050751E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  3.004925238906612E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  6.264920422935320E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  5.747271893295805E-004
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  2.134784439458471E-004
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  4.250734145332245E-004
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  3.396881748382496E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  6.678086126643895E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  9.489807877905390E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.148672837604069E-003
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  3.576659711401101E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  2.004329122570704E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  6.286915068486922E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  5.916684066969547E-004
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  8.165165570638795E-004
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  6.431881609073705E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  7.335967951397011E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  8.936019109828644E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  9.742522293501878E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  1.111025987112650E-003
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  7.733929280244274E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  4.331506119012958E-004
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  4.935090563867729E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  1.062819022824609E-003
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.149518930297157E-004
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.030788300948018E-003
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  3.154853063279298E-004
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  5.669411726755995E-004
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  4.892396527562481E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  5.444388963263731E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  2.311818011991072E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  5.210844525399000E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  5.747980086168281E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  1.265005472672536E-003
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  8.240800622720236E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  3.004923265748730E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  6.264919912401252E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  5.747270644399271E-004
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  2.134785152934394E-004
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  4.250733922948739E-004
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  3.396880408466557E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  6.678085645588651E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  9.489798891430755E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.148672765302713E-003
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  3.576658157496739E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  8.029572535304230E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.111443572008865E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  8.570432118749865E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  3.932529906309066E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  9.173212681165830E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.254037033299725E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  1.142961404987468E-003
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  9.743889922189756E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  3.776645075955337E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  5.607566555176968E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  6.009551053933438E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  2.620790439222610E-004
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.186751127614146E-003
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.148246027740909E-004
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  1.466448774956299E-003
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  8.363671124802846E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  8.223548220769909E-004
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  2.451762145424016E-004
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  3.376353340144170E-004
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  4.849915146963947E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  6.705049121047065E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  5.746344495690187E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.114474023071766E-003
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  2.737948067350533E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  3.005989813751497E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  3.265662202521883E-004
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  7.158907751477982E-004
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  4.936488768894127E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  4.992855294642854E-004
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  2.147216734551891E-004
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  4.968901363579662E-004
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  9.499930765203138E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.064828450154113E-003
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  6.420211961485270E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  5.107594041865097E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  1.379114478365727E-003
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  2.702242116409855E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  8.177769426662617E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.172178184512859E-003
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  4.073608680547537E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  8.830083788254657E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  2.962434077349751E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  9.743218243233381E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  1.436624677728153E-003
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.293518846131342E-003
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  3.092114010285006E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  5.767694010292067E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  2.179084005706592E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.149129889747924E-004
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  4.757663274901148E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  6.012115629421593E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.371770640357624E-003
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.818672951713174E-004
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  3.372139622055265E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  4.859031608657424E-004
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  2.088162666934758E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  5.738580454375818E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  1.942893589600502E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  6.398498404332669E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  3.004628277563427E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  5.284865443233695E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.276466327155099E-003
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  6.692574317028442E-004
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.148608834373493E-004
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  5.306940171624449E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  2.096031992742325E-004
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  9.492949358368461E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.360745219043994E-004
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  4.901620536508141E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  5.107593163554214E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  1.379114782039669E-003
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  2.702242228923215E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  8.177771831794218E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.172178053367225E-003
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  4.073608865715729E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  8.830083091170618E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  2.962434181359457E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  9.743219644270288E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  1.436624423412996E-003
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.293518727617661E-003
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  3.092114056769707E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  5.767693176847615E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  2.179084104321518E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.149128639600436E-004
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  4.757663436460955E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  6.012115725923211E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.371770433915142E-003
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.818671092204551E-004
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  3.372139592969624E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  4.859031896323967E-004
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  2.088162737843709E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  5.738579701482723E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  1.942893462692542E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  6.398496592262015E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  3.004630045132294E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  5.284865441083663E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.276466216881516E-003
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  6.692575034882955E-004
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.148608892438966E-004
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  5.306938905683295E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  2.096031930442728E-004
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  9.492957828855207E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.360745121162388E-004
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  4.901621344140158E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  4.655826421734442E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.891321683283388E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.393512167035708E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  5.478943041977660E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  9.258181388309343E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  3.847116126343261E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.740542746756249E-003
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  3.000224402730847E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  5.204728186084037E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  4.918780557604118E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.250593885056759E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.200859899654990E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.168006507425704E-003
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.514969143949140E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.324643406097399E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  8.090619065084248E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  3.653649590608175E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  3.370189953018611E-004
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  6.755706586957674E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  9.831255832535020E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.608931309713102E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  7.794088127554824E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  3.475403006679829E-004
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  8.796306399120256E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  5.358481112767420E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  1.550827092478249E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  8.783986566899673E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  5.144123343723387E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.629184217421866E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  2.716849966820991E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.647532759807575E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.286833972709003E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  4.706264478342616E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.420600331650252E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  3.633247841484684E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.204478318736680E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  3.930103780700143E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.330200690157386E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  4.736341800125071E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.179529733572269E-003
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  2.045986249964275E-003
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  2.736177476950673E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  9.256340844376542E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  4.514600553144150E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  8.697693933430250E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.508784062918878E-003
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  2.602694331502589E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.127912980448701E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  3.189145050980282E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  2.006997930770499E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  5.858824294673057E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.016302415775639E-003
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.159302232669637E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  8.786028775367261E-008
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  1.839633069143427E-004
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.686490138654279E-004
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  7.617491767221401E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  9.828471750262591E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  4.646763507611645E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  3.893680634283466E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  3.476160296855258E-004
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  6.754739418511316E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  2.681794172120951E-004
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  1.415103288580194E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  4.393725535755320E-004
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  2.923054563036310E-004
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  2.702257649428847E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.360607313963450E-004
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  3.430890262411704E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  3.161434150015727E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  2.359343544272854E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  4.093453004864534E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  1.824461785455366E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  1.348172354223417E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  1.978212455605177E-004
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  2.356780919583318E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  4.736335682879369E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.179529726695558E-003
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  2.045985068274248E-003
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  2.736177481018469E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  9.256340569369737E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  4.514600561315105E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  8.697693746124846E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.508784041049184E-003
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  2.602694312113877E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.127985401358348E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  3.189142800420220E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  2.006997817561625E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  5.858824184603968E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.016301937311738E-003
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.159302263059705E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  8.797474911506394E-008
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  1.839633065761381E-004
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.686490165964287E-004
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  7.617491930893659E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  9.828471444853653E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  4.646763790706012E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  3.893680552581887E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  3.476160223438553E-004
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  6.754739365639036E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  2.681794205508120E-004
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  1.415100369775230E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  4.393725550067230E-004
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  2.923054692465910E-004
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  2.703864085988494E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.360607328489925E-004
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  3.430887113158344E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  3.161431580853357E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  2.359343491936888E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  4.093452432157941E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  1.824461790334771E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  1.339230809698071E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  1.978212450422104E-004
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  2.356778169173987E-004
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6846.15399273 p = -3231.61677006
                                d =  -846.69643152 f =   -25.34012636
       valence  contribution :  s =    -0.14464990 p =    -0.03534222
                                d =    -1.26835362 f =    -0.00284120
                                ns      0.00783432
     single particle energies  spin  up    
         core   contribution :  s = -6846.44228343 p = -3232.30743137
                                d =  -847.27301135 f =   -25.74381628
       valence  contribution :  s =    -0.16004568 p =    -0.04033787
                                d =    -1.49543917 f =    -0.00316639
                                ns      0.00893280
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21904.70727202
                                   band energy per atom :   -3.1334089269

     coulomb  contribution :   0  14018.13557597  1     -0.01409900
                               2     -0.00291469  3     -0.00206391
                               4      0.00590870  5     -0.00217566
                               6     -0.00003306
     --------------------------------------------------------------------
     tot. coulomb contribution :  14018.12019836

     ex.-cor. contribution :   0   -678.16081379  1      0.01110211
                               2      0.00372387  3     -0.00501694
                               4     -0.00838022  5      0.00231425
                               6      0.00003559
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -678.15703513

     eff. pot. contribution     : -27075.87020352
     total double counting contribution                 : -13735.90704029

   Total contribution of atom  1 =-35640.61431231
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09247129 p =    -0.10939252
                                d =    -0.05159421 f =    -0.01884170
                                ns      0.05003293
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10065071 p =    -0.11894019
                                d =    -0.05716466 f =    -0.02152528
                                ns      0.05565484
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46489281
                                   band energy per atom :   -0.4648928093

     coulomb  contribution :   0      0.20291766  1      0.01583143
                               2     -0.01517231  3     -0.00636496
                               4     -0.01080101  5     -0.00168853
                               6     -0.00027160
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.18445069

     ex.-cor. contribution :   0     -0.71052272  1     -0.00076194
                               2      0.05501215  3      0.01103608
                               4      0.02142657  5      0.00440056
                               6      0.00057798
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.61883133

     eff. pot. contribution     :     -0.45105482
     total double counting contribution                 :     -0.88543547

   Total contribution of atom  2 =    -1.35032828
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09242771 p =    -0.10933486
                                d =    -0.05157164 f =    -0.01883257
                                ns      0.04998725
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10060437 p =    -0.11887670
                                d =    -0.05713813 f =    -0.02151444
                                ns      0.05560391
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46470927
                                   band energy per atom :   -0.4647092716

     coulomb  contribution :   0      0.20260118  1      0.01586600
                               2     -0.01512738  3     -0.00636020
                               4     -0.01078793  5     -0.00168657
                               6     -0.00027102
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.18423409

     ex.-cor. contribution :   0     -0.71019583  1     -0.00077000
                               2      0.05497137  3      0.01102821
                               4      0.02140462  5      0.00439760
                               6      0.00057682
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.61858719

     eff. pot. contribution     :     -0.45096729
     total double counting contribution                 :     -0.88532040

   Total contribution of atom  3 =    -1.35002967
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09242771 p =    -0.10933486
                                d =    -0.05157164 f =    -0.01883257
                                ns      0.04998725
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10060437 p =    -0.11887670
                                d =    -0.05713813 f =    -0.02151444
                                ns      0.05560391
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46470927
                                   band energy per atom :   -0.4647092705

     coulomb  contribution :   0      0.20260117  1      0.01586600
                               2     -0.01512738  3     -0.00636020
                               4     -0.01078793  5     -0.00168657
                               6     -0.00027102
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.18423407

     ex.-cor. contribution :   0     -0.71019583  1     -0.00077000
                               2      0.05497136  3      0.01102820
                               4      0.02140459  5      0.00439760
                               6      0.00057682
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.61858723

     eff. pot. contribution     :     -0.45096729
     total double counting contribution                 :     -0.88532045

   Total contribution of atom  4 =    -1.35002972
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05373208 p =    -0.06544558
                                d =    -0.03081273 f =    -0.01037895
                                ns      0.00906321
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05883961 p =    -0.07077889
                                d =    -0.03352511 f =    -0.01149407
                                ns      0.00986570
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.31607810
                                   band energy per atom :   -0.3160780958

     coulomb  contribution :   0      0.10996395  1     -0.00167473
                               2     -0.00045155  3      0.00001423
                               4     -0.00835907  5      0.00031894
                               6     -0.00025686
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.09955490

     ex.-cor. contribution :   0     -0.42653449  1     -0.00001984
                               2     -0.00034497  3     -0.00000716
                               4      0.01786729  5     -0.00000035
                               6      0.00116447
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40787506

     eff. pot. contribution     :     -0.44615661
     total double counting contribution                 :     -0.75447677

   Total contribution of atom  5 =    -1.07055487
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05373178 p =    -0.06545336
                                d =    -0.03081774 f =    -0.01037927
                                ns      0.00906403
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05883841 p =    -0.07078657
                                d =    -0.03353051 f =    -0.01149451
                                ns      0.00986653
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.31610159
                                   band energy per atom :   -0.3161015874

     coulomb  contribution :   0      0.11004046  1     -0.00168089
                               2     -0.00045370  3      0.00001488
                               4     -0.00836288  5      0.00031987
                               6     -0.00025648
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.09962125

     ex.-cor. contribution :   0     -0.42652893  1     -0.00002008
                               2     -0.00034495  3     -0.00000702
                               4      0.01787004  5     -0.00000030
                               6      0.00116292
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40786833

     eff. pot. contribution     :     -0.44613971
     total double counting contribution                 :     -0.75438679

   Total contribution of atom  6 =    -1.07048838
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05373178 p =    -0.06545336
                                d =    -0.03081774 f =    -0.01037927
                                ns      0.00906403
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05883841 p =    -0.07078657
                                d =    -0.03353051 f =    -0.01149451
                                ns      0.00986653
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.31610159
                                   band energy per atom :   -0.3161015872

     coulomb  contribution :   0      0.11004045  1     -0.00168089
                               2     -0.00045370  3      0.00001488
                               4     -0.00836288  5      0.00031987
                               6     -0.00025648
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.09962124

     ex.-cor. contribution :   0     -0.42652893  1     -0.00002008
                               2     -0.00034495  3     -0.00000702
                               4      0.01787003  5     -0.00000030
                               6      0.00116292
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40786833

     eff. pot. contribution     :     -0.44613971
     total double counting contribution                 :     -0.75438680

   Total contribution of atom  7 =    -1.07048839
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07721381 p =    -0.09124557
                                d =    -0.03870256 f =    -0.01071493
                                ns      0.01606114
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08438089 p =    -0.09950388
                                d =    -0.04317814 f =    -0.01233026
                                ns      0.01811128
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42309762
                                   band energy per atom :   -0.4230976172

     coulomb  contribution :   0      0.11089202  1     -0.00865076
                               2     -0.00862852  3      0.00474463
                               4     -0.01221227  5     -0.00012059
                               6      0.00007315
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.08609767

     ex.-cor. contribution :   0     -0.60729980  1      0.00203677
                               2      0.00342773  3      0.00086486
                               4      0.02980536  5      0.00099121
                               6      0.00076809
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.56940578

     eff. pot. contribution     :     -0.43726357
     total double counting contribution                 :     -0.92057169

   Total contribution of atom  8 =    -1.34366930
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.63879978 p = -1089.94695259
                                d =  -190.96352461
       valence  contribution :  s =    -0.48434869 p =    -0.18750037
                                d =    -0.01785836 f =    -0.00560530
                                ns     -0.00268571
     single particle energies  spin  up    
         core   contribution :  s = -2635.86941254 p = -1090.46584124
                                d =  -191.53833884
       valence  contribution :  s =    -0.52441110 p =    -0.21483969
                                d =    -0.01981819 f =    -0.00615125
                                ns     -0.00288002
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.88896829
                                   band energy per atom :   -1.4660986815

     coulomb  contribution :   0   5101.39209052  1      0.00294679
                               2     -0.00042434  3      0.00070940
                               4     -0.00340926  5     -0.00001694
                               6     -0.00002827
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.39186789

     ex.-cor. contribution :   0   -329.16393203  1     -0.00002887
                               2     -0.00024887  3      0.00353503
                               4     -0.01856582  5      0.00007015
                               6      0.00037697
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.17879344

     eff. pot. contribution     :  -9890.69634640
     total double counting contribution                 :  -5118.48327195

   Total contribution of atom  9 =-12954.37224024
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.63880333 p = -1089.94696030
                                d =  -190.96353261
       valence  contribution :  s =    -0.48432365 p =    -0.18747473
                                d =    -0.01785907 f =    -0.00560635
                                ns     -0.00268656
     single particle energies  spin  up    
         core   contribution :  s = -2635.86941609 p = -1090.46584895
                                d =  -191.53834683
       valence  contribution :  s =    -0.52438627 p =    -0.21480867
                                d =    -0.01981892 f =    -0.00615241
                                ns     -0.00288110
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.88890585
                                   band energy per atom :   -1.4659977332

     coulomb  contribution :   0   5101.38418628  1      0.00293431
                               2     -0.00042485  3      0.00071173
                               4     -0.00341104  5     -0.00001639
                               6     -0.00002826
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.38395177

     ex.-cor. contribution :   0   -329.16371860  1     -0.00002881
                               2     -0.00025007  3      0.00353413
                               4     -0.01857238  5      0.00007049
                               6      0.00037712
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.17858811

     eff. pot. contribution     :  -9890.68841358
     total double counting contribution                 :  -5118.48304991

   Total contribution of atom 10 =-12954.37195576
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.63880333 p = -1089.94696030
                                d =  -190.96353261
       valence  contribution :  s =    -0.48432365 p =    -0.18747473
                                d =    -0.01785907 f =    -0.00560635
                                ns     -0.00268656
     single particle energies  spin  up    
         core   contribution :  s = -2635.86941608 p = -1090.46584895
                                d =  -191.53834683
       valence  contribution :  s =    -0.52438627 p =    -0.21480867
                                d =    -0.01981892 f =    -0.00615241
                                ns     -0.00288110
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.88890583
                                   band energy per atom :   -1.4659977327

     coulomb  contribution :   0   5101.38418640  1      0.00293430
                               2     -0.00042485  3      0.00071173
                               4     -0.00341104  5     -0.00001639
                               6     -0.00002826
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.38395189

     ex.-cor. contribution :   0   -329.16371861  1     -0.00002881
                               2     -0.00025007  3      0.00353488
                               4     -0.01857274  5      0.00007049
                               6      0.00037712
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.17858773

     eff. pot. contribution     :  -9890.68841370
     total double counting contribution                 :  -5118.48304955

   Total contribution of atom 11 =-12954.37195538
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08968493 p =    -0.11023294
                                d =    -0.05102549 f =    -0.01540026
                                ns      0.05078649
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09686422 p =    -0.11777044
                                d =    -0.05487720 f =    -0.01693873
                                ns      0.05515941
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44684831
                                   band energy per atom :   -0.4468483061

     coulomb  contribution :   0      0.06230506  1     -0.00616934
                               2     -0.04451554  3     -0.00426440
                               4     -0.00060065  5     -0.00018290
                               6     -0.00016047
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.00641176

     ex.-cor. contribution :   0     -0.65492595  1     -0.00126092
                               2      0.04962793  3      0.00862164
                               4      0.01908827  5      0.00376473
                               6      0.00030566
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57477864

     eff. pot. contribution     :     -0.41006230
     total double counting contribution                 :     -0.97842918

   Total contribution of atom 12 =    -1.42527749
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78007261 p = -1151.26495151
                                d =  -209.75383917
       valence  contribution :  s =    -0.62167329 p =    -0.23720421
                                d =    -0.01392641 f =    -0.00366119
                                ns      0.00099869
     single particle energies  spin  up    
         core   contribution :  s = -2756.01070820 p = -1151.78388664
                                d =  -210.32879322
       valence  contribution :  s =    -0.66131989 p =    -0.27669004
                                d =    -0.01432778 f =    -0.00369245
                                ns      0.00096693
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.75278097
                                   band energy per atom :   -1.8305296304

     coulomb  contribution :   0   5299.08468113  1     -0.01387195
                               2     -0.00008733  3     -0.00290880
                               4     -0.00142740  5     -0.00022982
                               6      0.00005580
     --------------------------------------------------------------------
     tot. coulomb contribution :   5299.06621162

     ex.-cor. contribution :   0   -339.67973282  1      0.01215259
                               2     -0.00324840  3     -0.01431502
                               4     -0.01437741  5      0.00221244
                               6     -0.00002190
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.69733053

     eff. pot. contribution     : -10303.10525293
     total double counting contribution                 :  -5343.73637184

   Total contribution of atom 13 =-13580.48915281
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78008184 p = -1151.26497214
                                d =  -209.75386176
       valence  contribution :  s =    -0.62165947 p =    -0.23719346
                                d =    -0.01392588 f =    -0.00366139
                                ns      0.00099774
     single particle energies  spin  up    
         core   contribution :  s = -2756.01071743 p = -1151.78390727
                                d =  -210.32881581
       valence  contribution :  s =    -0.66130611 p =    -0.27667716
                                d =    -0.01432720 f =    -0.00369264
                                ns      0.00096580
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.75283601
                                   band energy per atom :   -1.8304797696

     coulomb  contribution :   0   5299.08225133  1     -0.01386614
                               2     -0.00008865  3     -0.00290428
                               4     -0.00142909  5     -0.00022942
                               6      0.00005580
     --------------------------------------------------------------------
     tot. coulomb contribution :   5299.06378955

     ex.-cor. contribution :   0   -339.67965101  1      0.01215263
                               2     -0.00325432  3     -0.01430329
                               4     -0.01437891  5      0.00221319
                               6     -0.00002186
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.69724358

     eff. pot. contribution     : -10303.10261051
     total double counting contribution                 :  -5343.73606454

   Total contribution of atom 14 =-13580.48890055
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78008184 p = -1151.26497214
                                d =  -209.75386176
       valence  contribution :  s =    -0.62165948 p =    -0.23719346
                                d =    -0.01392588 f =    -0.00366139
                                ns      0.00099774
     single particle energies  spin  up    
         core   contribution :  s = -2756.01071743 p = -1151.78390727
                                d =  -210.32881581
       valence  contribution :  s =    -0.66130611 p =    -0.27667716
                                d =    -0.01432720 f =    -0.00369264
                                ns      0.00096580
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.75283601
                                   band energy per atom :   -1.8304797702

     coulomb  contribution :   0   5299.08225143  1     -0.01386614
                               2     -0.00008865  3     -0.00290428
                               4     -0.00142909  5     -0.00022942
                               6      0.00005580
     --------------------------------------------------------------------
     tot. coulomb contribution :   5299.06378965

     ex.-cor. contribution :   0   -339.67965102  1      0.01215263
                               2     -0.00325430  3     -0.01430447
                               4     -0.01437868  5      0.00221319
                               6     -0.00002186
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.69724452

     eff. pot. contribution     : -10303.10261060
     total double counting contribution                 :  -5343.73606547

   Total contribution of atom 15 =-13580.48890148
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79430757 p = -1151.29713653
                                d =  -209.78980276
       valence  contribution :  s =    -0.62526982 p =    -0.24122419
                                d =    -0.01368151 f =    -0.00354471
                                ns      0.00030157
     single particle energies  spin  up    
         core   contribution :  s = -2756.02493411 p = -1151.81604709
                                d =  -210.36471387
       valence  contribution :  s =    -0.66478371 p =    -0.28113545
                                d =    -0.01425797 f =    -0.00366386
                                ns      0.00039251
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.93380905
                                   band energy per atom :   -1.8468671328

     coulomb  contribution :   0   5301.23624667  1     -0.00147762
                               2     -0.00076898  3     -0.00310927
                               4     -0.00315834  5      0.00016680
                               6     -0.00000324
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.22789603

     ex.-cor. contribution :   0   -339.73648301  1      0.01203001
                               2     -0.00365525  3     -0.01364854
                               4     -0.01394891  5      0.00202339
                               6     -0.00002971
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75371202

     eff. pot. contribution     : -10305.03344608
     total double counting contribution                 :  -5343.55926208

   Total contribution of atom 16 =-13580.49307113
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79429863 p = -1151.29711642
                                d =  -209.78978049
       valence  contribution :  s =    -0.62526509 p =    -0.24124182
                                d =    -0.01368142 f =    -0.00354452
                                ns      0.00030044
     single particle energies  spin  up    
         core   contribution :  s = -2756.02492516 p = -1151.81602697
                                d =  -210.36469159
       valence  contribution :  s =    -0.66477842 p =    -0.28115473
                                d =    -0.01425797 f =    -0.00366368
                                ns      0.00039144
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.93373506
                                   band energy per atom :   -1.8468957980

     coulomb  contribution :   0   5301.23627994  1     -0.00148269
                               2     -0.00075890  3     -0.00310955
                               4     -0.00315586  5      0.00016638
                               6     -0.00000320
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.22793612

     ex.-cor. contribution :   0   -339.73650948  1      0.01202915
                               2     -0.00364958  3     -0.01364376
                               4     -0.01395444  5      0.00202326
                               6     -0.00002968
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75373453

     eff. pot. contribution     : -10305.03374156
     total double counting contribution                 :  -5343.55953997

   Total contribution of atom 17 =-13580.49327503
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79429863 p = -1151.29711642
                                d =  -209.78978049
       valence  contribution :  s =    -0.62526509 p =    -0.24124183
                                d =    -0.01368142 f =    -0.00354452
                                ns      0.00030044
     single particle energies  spin  up    
         core   contribution :  s = -2756.02492517 p = -1151.81602697
                                d =  -210.36469159
       valence  contribution :  s =    -0.66477842 p =    -0.28115473
                                d =    -0.01425797 f =    -0.00366368
                                ns      0.00039144
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.93373506
                                   band energy per atom :   -1.8468957988

     coulomb  contribution :   0   5301.23628010  1     -0.00148269
                               2     -0.00075890  3     -0.00310955
                               4     -0.00315586  5      0.00016638
                               6     -0.00000320
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.22793628

     ex.-cor. contribution :   0   -339.73650948  1      0.01202915
                               2     -0.00364959  3     -0.01364219
                               4     -0.01395369  5      0.00202326
                               6     -0.00002968
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75373222

     eff. pot. contribution     : -10305.03374171
     total double counting contribution                 :  -5343.55953766

   Total contribution of atom 18 =-13580.49327272
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79430757 p = -1151.29713653
                                d =  -209.78980276
       valence  contribution :  s =    -0.62526982 p =    -0.24122419
                                d =    -0.01368151 f =    -0.00354471
                                ns      0.00030157
     single particle energies  spin  up    
         core   contribution :  s = -2756.02493411 p = -1151.81604709
                                d =  -210.36471387
       valence  contribution :  s =    -0.66478371 p =    -0.28113545
                                d =    -0.01425797 f =    -0.00366386
                                ns      0.00039251
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.93380906
                                   band energy per atom :   -1.8468671342

     coulomb  contribution :   0   5301.23624688  1     -0.00147762
                               2     -0.00076898  3     -0.00310927
                               4     -0.00315834  5      0.00016680
                               6     -0.00000324
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.22789625

     ex.-cor. contribution :   0   -339.73648300  1      0.01203001
                               2     -0.00365525  3     -0.01364593
                               4     -0.01395085  5      0.00202339
                               6     -0.00002971
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75371133

     eff. pot. contribution     : -10305.03344628
     total double counting contribution                 :  -5343.55926137

   Total contribution of atom 19 =-13580.49307043
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79430675 p = -1151.29713466
                                d =  -209.78980065
       valence  contribution :  s =    -0.62526391 p =    -0.24124739
                                d =    -0.01368073 f =    -0.00354436
                                ns      0.00030128
     single particle energies  spin  up    
         core   contribution :  s = -2756.02493329 p = -1151.81604523
                                d =  -210.36471178
       valence  contribution :  s =    -0.66477749 p =    -0.28115825
                                d =    -0.01425719 f =    -0.00366349
                                ns      0.00039200
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.93383189
                                   band energy per atom :   -1.8468995390

     coulomb  contribution :   0   5301.23636317  1     -0.00148369
                               2     -0.00076414  3     -0.00310817
                               4     -0.00315855  5      0.00016661
                               6     -0.00000318
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.22801205

     ex.-cor. contribution :   0   -339.73650930  1      0.01202803
                               2     -0.00365047  3     -0.01363711
                               4     -0.01396153  5      0.00202360
                               6     -0.00002966
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75373644

     eff. pot. contribution     : -10305.03359292
     total double counting contribution                 :  -5343.55931730

   Total contribution of atom 20 =-13580.49314919
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79430675 p = -1151.29713466
                                d =  -209.78980065
       valence  contribution :  s =    -0.62526391 p =    -0.24124739
                                d =    -0.01368073 f =    -0.00354436
                                ns      0.00030128
     single particle energies  spin  up    
         core   contribution :  s = -2756.02493329 p = -1151.81604522
                                d =  -210.36471178
       valence  contribution :  s =    -0.66477749 p =    -0.28115825
                                d =    -0.01425719 f =    -0.00366349
                                ns      0.00039200
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.93383189
                                   band energy per atom :   -1.8468995384

     coulomb  contribution :   0   5301.23636312  1     -0.00148369
                               2     -0.00076414  3     -0.00310817
                               4     -0.00315855  5      0.00016661
                               6     -0.00000318
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.22801200

     ex.-cor. contribution :   0   -339.73650930  1      0.01202803
                               2     -0.00365048  3     -0.01363793
                               4     -0.01396044  5      0.00202360
                               6     -0.00002966
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75373618

     eff. pot. contribution     : -10305.03359287
     total double counting contribution                 :  -5343.55931705

   Total contribution of atom 21 =-13580.49314894
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74787632 p = -1151.18914887
                                d =  -209.65820277
       valence  contribution :  s =    -0.60886020 p =    -0.22270379
                                d =    -0.01193820 f =    -0.00320675
                                ns     -0.00917301
     single particle energies  spin  up    
         core   contribution :  s = -2755.97850605 p = -1151.70808306
                                d =  -210.23357839
       valence  contribution :  s =    -0.64994957 p =    -0.26432011
                                d =    -0.01250007 f =    -0.00333400
                                ns     -0.00943175
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.31081290
                                   band energy per atom :   -1.7954174432

     coulomb  contribution :   0   5313.38627968  1     -0.00047861
                               2     -0.00139205  3     -0.00001438
                               4     -0.00476245  5     -0.00000234
                               6     -0.00001045
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.37961940

     ex.-cor. contribution :   0   -339.77507778  1     -0.00003253
                               2     -0.00940007  3     -0.00036765
                               4     -0.03711933  5     -0.00000023
                               6      0.00015997
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82183761

     eff. pot. contribution     : -10317.87759582
     total double counting contribution                 :  -5344.31981403

   Total contribution of atom 22 =-13580.63062693
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74787522 p = -1151.18914644
                                d =  -209.65820019
       valence  contribution :  s =    -0.60885979 p =    -0.22270325
                                d =    -0.01193808 f =    -0.00320656
                                ns     -0.00917341
     single particle energies  spin  up    
         core   contribution :  s = -2755.97850495 p = -1151.70808064
                                d =  -210.23357581
       valence  contribution :  s =    -0.64994922 p =    -0.26431893
                                d =    -0.01250014 f =    -0.00333391
                                ns     -0.00943201
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.31079855
                                   band energy per atom :   -1.7954152999

     coulomb  contribution :   0   5313.38740066  1     -0.00047879
                               2     -0.00137838  3     -0.00001454
                               4     -0.00476233  5     -0.00000235
                               6     -0.00001045
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.38075382

     ex.-cor. contribution :   0   -339.77510619  1     -0.00003255
                               2     -0.00940081  3     -0.00034477
                               4     -0.03713553  5     -0.00000023
                               6      0.00015999
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82186009

     eff. pot. contribution     : -10317.87874141
     total double counting contribution                 :  -5344.31984767

   Total contribution of atom 23 =-13580.63064622
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74787522 p = -1151.18914644
                                d =  -209.65820019
       valence  contribution :  s =    -0.60885979 p =    -0.22270325
                                d =    -0.01193808 f =    -0.00320656
                                ns     -0.00917341
     single particle energies  spin  up    
         core   contribution :  s = -2755.97850495 p = -1151.70808064
                                d =  -210.23357581
       valence  contribution :  s =    -0.64994922 p =    -0.26431893
                                d =    -0.01250014 f =    -0.00333391
                                ns     -0.00943201
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.31079855
                                   band energy per atom :   -1.7954153000

     coulomb  contribution :   0   5313.38740083  1     -0.00047879
                               2     -0.00137838  3     -0.00001454
                               4     -0.00476233  5     -0.00000235
                               6     -0.00001045
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.38075399

     ex.-cor. contribution :   0   -339.77510619  1     -0.00003255
                               2     -0.00940085  3     -0.00034774
                               4     -0.03713787  5     -0.00000023
                               6      0.00015999
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82186543

     eff. pot. contribution     : -10317.87874158
     total double counting contribution                 :  -5344.31985301

   Total contribution of atom 24 =-13580.63065156
                                   sum of band energies :  -32.7031037740
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.07919676
                                eV  : -3231106.46153529
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:45:07:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            4
25.03.2020 19:45:07:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   1.265554781639545E-011  4.729789313345669E-007
  0.125387172683233     
 magnetic moment2 is   1.265786340891451E-011  4.729789317448654E-007
 -7.519416511234782E-002
 magnetic moment is   6.361946440578553E-011  4.472218691407145E-004
  2.712710258751982E-002
 magnetic moment2 is   6.361946440578553E-011  4.472218691407145E-004
 -6.469930006414493E-003
 magnetic moment is   3.884322409645379E-004 -2.233338479516782E-004
  2.712942851018074E-002
 magnetic moment2 is   3.884322409645379E-004 -2.233338479516782E-004
 -6.468466538996825E-003
 magnetic moment is  -3.884321755222415E-004 -2.233338816351134E-004
  2.712942904352267E-002
 magnetic moment2 is  -3.884321755222415E-004 -2.233338816351134E-004
 -6.468466095083641E-003
 magnetic moment is  -1.868957817826276E-011 -5.096934397120674E-004
  2.752989422429553E-002
 magnetic moment2 is  -1.868957817826276E-011 -5.096934397120674E-004
 -9.158545881951946E-003
 magnetic moment is  -4.418126229204936E-004  2.548386843597205E-004
  2.751916618551675E-002
 magnetic moment2 is  -4.418126229204936E-004  2.548386843597205E-004
 -9.168772956047892E-003
 magnetic moment is   4.418126684454380E-004  2.548387111820329E-004
  2.751916699512558E-002
 magnetic moment2 is   4.418126684454380E-004  2.548387111820329E-004
 -9.168772191465543E-003
 magnetic moment is  -9.368204292113004E-012 -8.464724990266205E-008
  2.765401656016453E-002
 magnetic moment2 is  -9.368204292113004E-012 -8.464724990266205E-008
 -9.234663595050846E-003
 magnetic moment is  -1.549277370619089E-010 -7.217447446483940E-004
  9.725639468540548E-002
 magnetic moment2 is  -1.549346481189220E-010 -7.228987055297648E-004
 -5.126027974275832E-002
 magnetic moment is  -6.265896314506798E-004  3.611649788695541E-004
  9.724189853989818E-002
 magnetic moment2 is  -6.275891255768450E-004  3.617417632582163E-004
 -5.127481841129844E-002
 magnetic moment is   6.265896513038878E-004  3.611650237762704E-004
  9.724190092249363E-002
 magnetic moment2 is   6.275891454818259E-004  3.617418081334352E-004
 -5.127481608164292E-002
 magnetic moment is   1.288184577480220E-011  1.542504496436629E-008
  3.069598649468530E-002
 magnetic moment2 is   1.288184577480220E-011  1.542504496436629E-008
 -4.346321780042184E-003
 magnetic moment is   5.902055672532894E-011  2.198475577322631E-004
  0.150092941122365     
 magnetic moment2 is   5.901981762470795E-011  2.199829082924846E-004
  1.092864827096503E-002
 magnetic moment is   1.905356141042224E-004 -1.102454620886175E-004
  0.150086082584581     
 magnetic moment2 is   1.906542355347191E-004 -1.103158897240101E-004
  1.092189529279484E-002
 magnetic moment is  -1.905355887928021E-004 -1.102455049931255E-004
  0.150086083070528     
 magnetic moment2 is  -1.906542102418460E-004 -1.103159326287762E-004
  1.092189577855884E-002
 magnetic moment is  -4.697499741018520E-004  5.374496426858664E-004
  0.132474303055479     
 magnetic moment2 is  -4.697169689512398E-004  5.373837656544770E-004
 -6.298745945441137E-003
 magnetic moment is   2.309879819880966E-004 -6.753514026955590E-004
  0.132464937391813     
 magnetic moment2 is   2.309482401718705E-004 -6.752894018907799E-004
 -6.308266755116837E-003
 magnetic moment is  -2.309879331123727E-004 -6.753512725869344E-004
  0.132464938254344     
 magnetic moment2 is  -2.309481912998269E-004 -6.752892717845737E-004
 -6.308265890157649E-003
 magnetic moment is   4.697500198591215E-004  5.374495657369572E-004
  0.132474302671633     
 magnetic moment2 is   4.697170147007513E-004  5.373836887108280E-004
 -6.298746317725160E-003
 magnetic moment is   6.992312003625313E-004  1.378659280276466E-004
  0.132490633346210     
 magnetic moment2 is   6.991564574087213E-004  1.378682293040057E-004
 -6.282541138610181E-003
 magnetic moment is  -6.992311182662920E-004  1.378658745621191E-004
  0.132490634539269     
 magnetic moment2 is  -6.991563753160204E-004  1.378681758368141E-004
 -6.282539954755251E-003
 magnetic moment is  -6.299255333932358E-012 -3.835259118398266E-004
  0.138970429603254     
 magnetic moment2 is  -6.328820077055632E-012 -3.835132658198679E-004
 -9.776507751849545E-003
 magnetic moment is  -3.301348733145923E-004  1.914326265743910E-004
  0.138949060501356     
 magnetic moment2 is  -3.301323778814450E-004  1.914311866964198E-004
 -9.797952097161874E-003
 magnetic moment is   3.301349423973518E-004  1.914326304934874E-004
  0.138949061130616     
 magnetic moment2 is   3.301324469639689E-004  1.914311906157666E-004
 -9.797951459594112E-003
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.45404554  0.47207057    0.0180
          p =  0.13804888  0.16289482    0.0248
          d =  4.36763074  4.45080821    0.0832
          f =  0.00972255  0.01040960    0.0007
          ns  -0.01736526 -0.01871358   -0.0013
          ------------------------------------
          TOT  4.95208245  5.07746962    0.1254
                          10.02955207
   ========================== 
      2   s =  0.24365196  0.25608571    0.0124
          p =  0.31889214  0.33087189    0.0120
          d =  0.16959230  0.17636079    0.0068
          f =  0.06512667  0.06866650    0.0035
          ns  -0.12623000 -0.13382471   -0.0076
          ------------------------------------
          TOT  0.67103308  0.69816018    0.0271
                           1.36919326
   ========================== 
      3   s =  0.24357934  0.25602217    0.0124
          p =  0.31871355  0.33069572    0.0120
          d =  0.16948028  0.17624100    0.0068
          f =  0.06508604  0.06862013    0.0035
          ns  -0.12608040 -0.13367077   -0.0076
          ------------------------------------
          TOT  0.67077882  0.69790825    0.0271
                           1.36868707
   ========================== 
      4   s =  0.24357934  0.25602217    0.0124
          p =  0.31871355  0.33069572    0.0120
          d =  0.16948028  0.17624100    0.0068
          f =  0.06508604  0.06862013    0.0035
          ns  -0.12608039 -0.13367077   -0.0076
          ------------------------------------
          TOT  0.67077882  0.69790825    0.0271
                           1.36868706
   ========================== 
      5   s =  0.16121148  0.17244244    0.0112
          p =  0.21178687  0.22233368    0.0105
          d =  0.10876256  0.11409881    0.0053
          f =  0.03778473  0.03996020    0.0022
          ns  -0.02492038 -0.02667998   -0.0018
          ------------------------------------
          TOT  0.49462526  0.52215516    0.0275
                           1.01678042
   ========================== 
      6   s =  0.16117772  0.17240434    0.0112
          p =  0.21178535  0.22232624    0.0105
          d =  0.10878508  0.11411994    0.0053
          f =  0.03779098  0.03996686    0.0022
          ns  -0.02492090 -0.02667999   -0.0018
          ------------------------------------
          TOT  0.49461822  0.52213739    0.0275
                           1.01675561
   ========================== 
      7   s =  0.16117772  0.17240434    0.0112
          p =  0.21178535  0.22232625    0.0105
          d =  0.10878508  0.11411994    0.0053
          f =  0.03779098  0.03996685    0.0022
          ns  -0.02492090 -0.02667999   -0.0018
          ------------------------------------
          TOT  0.49461822  0.52213739    0.0275
                           1.01675561
   ========================== 
      8   s =  0.21131895  0.22224010    0.0109
          p =  0.28202856  0.29274711    0.0107
          d =  0.14354311  0.15057613    0.0070
          f =  0.04102463  0.04479088    0.0038
          ns  -0.04463092 -0.04941588   -0.0048
          ------------------------------------
          TOT  0.63328433  0.66093834    0.0277
                           1.29422267
   ========================== 
      9   s =  0.82269317  0.84167367    0.0190
          p =  0.77796723  0.85283165    0.0749
          d =  0.08485475  0.08768289    0.0028
          f =  0.02079115  0.02127651    0.0005
          ns   0.01073993  0.01083790    0.0001
          ------------------------------------
          TOT  1.71704623  1.81430263    0.0973
                           3.53134886
   ========================== 
     10   s =  0.82269549  0.84168344    0.0190
          p =  0.77780475  0.85264384    0.0748
          d =  0.08485685  0.08768700    0.0028
          f =  0.02079569  0.02128129    0.0005
          ns   0.01074717  0.01084629    0.0001
          ------------------------------------
          TOT  1.71689996  1.81414186    0.0972
                           3.53104181
   ========================== 
     11   s =  0.82269549  0.84168344    0.0190
          p =  0.77780475  0.85264384    0.0748
          d =  0.08485685  0.08768700    0.0028
          f =  0.02079569  0.02128129    0.0005
          ns   0.01074717  0.01084629    0.0001
          ------------------------------------
          TOT  1.71689996  1.81414186    0.0972
                           3.53104181
   ========================== 
     12   s =  0.23275797  0.24596162    0.0132
          p =  0.30706648  0.32081525    0.0137
          d =  0.15819574  0.16646364    0.0083
          f =  0.05132974  0.05525393    0.0039
          ns  -0.11286408 -0.12131261   -0.0084
          ------------------------------------
          TOT  0.63648584  0.66718183    0.0307
                           1.30366767
   ========================== 
     13   s =  0.84784120  0.85811105    0.0103
          p =  1.24384560  1.38412924    0.1403
          d =  0.04970300  0.05001178    0.0003
          f =  0.01180825  0.01182882    0.0000
          ns   0.00236842  0.00157853   -0.0008
          ------------------------------------
          TOT  2.15556648  2.30565942    0.1501
                           4.46122589
   ========================== 
     14   s =  0.84783364  0.85810618    0.0103
          p =  1.24380974  1.38408348    0.1403
          d =  0.04970364  0.05001270    0.0003
          f =  0.01180929  0.01182956    0.0000
          ns   0.00237431  0.00158479   -0.0008
          ------------------------------------
          TOT  2.15553062  2.30561671    0.1501
                           4.46114733
   ========================== 
     15   s =  0.84783364  0.85810618    0.0103
          p =  1.24380974  1.38408348    0.1403
          d =  0.04970364  0.05001270    0.0003
          f =  0.01180929  0.01182956    0.0000
          ns   0.00237431  0.00158479   -0.0008
          ------------------------------------
          TOT  2.15553062  2.30561671    0.1501
                           4.46114733
   ========================== 
     16   s =  0.84835081  0.85900515    0.0107
          p =  1.27972589  1.40106147    0.1213
          d =  0.04947311  0.05042181    0.0009
          f =  0.01164260  0.01190454    0.0003
          ns   0.00354670  0.00282044   -0.0007
          ------------------------------------
          TOT  2.19273912  2.32521342    0.1325
                           4.51795254
   ========================== 
     17   s =  0.84833540  0.85899047    0.0107
          p =  1.27976793  1.40109225    0.1213
          d =  0.04947356  0.05042317    0.0009
          f =  0.01164058  0.01190295    0.0003
          ns   0.00355071  0.00282428   -0.0007
          ------------------------------------
          TOT  2.19276818  2.32523312    0.1325
                           4.51800130
   ========================== 
     18   s =  0.84833540  0.85899046    0.0107
          p =  1.27976793  1.40109226    0.1213
          d =  0.04947356  0.05042317    0.0009
          f =  0.01164058  0.01190295    0.0003
          ns   0.00355071  0.00282428   -0.0007
          ------------------------------------
          TOT  2.19276818  2.32523312    0.1325
                           4.51800130
   ========================== 
     19   s =  0.84835081  0.85900515    0.0107
          p =  1.27972590  1.40106148    0.1213
          d =  0.04947311  0.05042181    0.0009
          f =  0.01164260  0.01190454    0.0003
          ns   0.00354670  0.00282044   -0.0007
          ------------------------------------
          TOT  2.19273912  2.32521342    0.1325
                           4.51795254
   ========================== 
     20   s =  0.84833388  0.85899083    0.0107
          p =  1.27976209  1.40111067    0.1213
          d =  0.04947749  0.05042691    0.0009
          f =  0.01164245  0.01190418    0.0003
          ns   0.00354984  0.00282378   -0.0007
          ------------------------------------
          TOT  2.19276575  2.32525638    0.1325
                           4.51802213
   ========================== 
     21   s =  0.84833388  0.85899083    0.0107
          p =  1.27976208  1.40111067    0.1213
          d =  0.04947749  0.05042691    0.0009
          f =  0.01164245  0.01190418    0.0003
          ns   0.00354984  0.00282378   -0.0007
          ------------------------------------
          TOT  2.19276575  2.32525638    0.1325
                           4.51802213
   ========================== 
     22   s =  0.83950576  0.85158980    0.0121
          p =  1.31712752  1.44378746    0.1267
          d =  0.04742350  0.04852066    0.0011
          f =  0.01206704  0.01218289    0.0001
          ns   0.02278105  0.02179448   -0.0010
          ------------------------------------
          TOT  2.23890487  2.37787530    0.1390
                           4.61678016
   ========================== 
     23   s =  0.83950995  0.85159334    0.0121
          p =  1.31714950  1.44378837    0.1266
          d =  0.04742471  0.04852158    0.0011
          f =  0.01206664  0.01218339    0.0001
          ns   0.02278192  0.02179510   -0.0010
          ------------------------------------
          TOT  2.23893272  2.37788178    0.1389
                           4.61681451
   ========================== 
     24   s =  0.83950995  0.85159334    0.0121
          p =  1.31714950  1.44378838    0.1266
          d =  0.04742472  0.04852158    0.0011
          f =  0.01206664  0.01218339    0.0001
          ns   0.02278192  0.02179510   -0.0010
          ------------------------------------
          TOT  2.23893273  2.37788179    0.1389
                           4.61681451
 
############################################
 
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   78.029550
       spin moment in wigner seitz cell =    0.125387
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.029550
                              spin magnetic moment =     0.125387
 
  Atom    2 charge in wigner seitz cell =    1.369191
       spin moment in wigner seitz cell =    0.027127
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.369191
                              spin magnetic moment =     0.027127
 
  Atom    3 charge in wigner seitz cell =    1.368685
       spin moment in wigner seitz cell =    0.027129
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.368685
                              spin magnetic moment =     0.027129
 
  Atom    4 charge in wigner seitz cell =    1.368685
       spin moment in wigner seitz cell =    0.027129
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.368685
                              spin magnetic moment =     0.027129
 
  Atom    5 charge in wigner seitz cell =    1.016780
       spin moment in wigner seitz cell =    0.027530
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.016780
                              spin magnetic moment =     0.027530
 
  Atom    6 charge in wigner seitz cell =    1.016755
       spin moment in wigner seitz cell =    0.027519
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.016755
                              spin magnetic moment =     0.027519
 
  Atom    7 charge in wigner seitz cell =    1.016755
       spin moment in wigner seitz cell =    0.027519
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.016755
                              spin magnetic moment =     0.027519
 
  Atom    8 charge in wigner seitz cell =    1.294219
       spin moment in wigner seitz cell =    0.027654
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.294219
                              spin magnetic moment =     0.027654
 
  Atom    9 charge in wigner seitz cell =   49.531346
       spin moment in wigner seitz cell =    0.097256
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.468654
                              spin magnetic moment =     0.097256
 
  Atom   10 charge in wigner seitz cell =   49.531039
       spin moment in wigner seitz cell =    0.097242
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.468961
                              spin magnetic moment =     0.097242
 
  Atom   11 charge in wigner seitz cell =   49.531039
       spin moment in wigner seitz cell =    0.097242
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.468961
                              spin magnetic moment =     0.097242
 
  Atom   12 charge in wigner seitz cell =    1.303665
       spin moment in wigner seitz cell =    0.030696
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =     1.303665
                              spin magnetic moment =     0.030696
 
  Atom   13 charge in wigner seitz cell =   50.461223
       spin moment in wigner seitz cell =    0.150093
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.538777
                              spin magnetic moment =     0.150093
 
  Atom   14 charge in wigner seitz cell =   50.461145
       spin moment in wigner seitz cell =    0.150086
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.538855
                              spin magnetic moment =     0.150086
 
  Atom   15 charge in wigner seitz cell =   50.461145
       spin moment in wigner seitz cell =    0.150086
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.538855
                              spin magnetic moment =     0.150086
 
  Atom   16 charge in wigner seitz cell =   50.517950
       spin moment in wigner seitz cell =    0.132474
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.482050
                              spin magnetic moment =     0.132474
 
  Atom   17 charge in wigner seitz cell =   50.517999
       spin moment in wigner seitz cell =    0.132465
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.482001
                              spin magnetic moment =     0.132465
 
  Atom   18 charge in wigner seitz cell =   50.517999
       spin moment in wigner seitz cell =    0.132465
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.482001
                              spin magnetic moment =     0.132465
 
  Atom   19 charge in wigner seitz cell =   50.517950
       spin moment in wigner seitz cell =    0.132474
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.482050
                              spin magnetic moment =     0.132474
 
  Atom   20 charge in wigner seitz cell =   50.518020
       spin moment in wigner seitz cell =    0.132491
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.481980
                              spin magnetic moment =     0.132491
 
  Atom   21 charge in wigner seitz cell =   50.518020
       spin moment in wigner seitz cell =    0.132491
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.481980
                              spin magnetic moment =     0.132491
 
  Atom   22 charge in wigner seitz cell =   50.616778
       spin moment in wigner seitz cell =    0.138970
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.383222
                              spin magnetic moment =     0.138970
 
  Atom   23 charge in wigner seitz cell =   50.616813
       spin moment in wigner seitz cell =    0.138949
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.383187
                              spin magnetic moment =     0.138949
 
  Atom   24 charge in wigner seitz cell =   50.616813
       spin moment in wigner seitz cell =    0.138949
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   4 charge neutrality in unit cell =    -1.383187
                              spin magnetic moment =     0.138949
 
                    TOTAL mag. moment in unit cell =     2.301424
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:48:40:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:40:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.0762D+00  ,  v+ - v- =  1.9395D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  3.6565D-02  ,  v+ - v- =  7.5194D-04
      rms-error for atom  2 :v+ + v- =  1.6903D-01  ,  v+ - v- =  1.9160D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.6547D-01  ,  v+ - v- =  7.0263D-04
      rms-error for atom  3 :v+ + v- =  1.6878D-01  ,  v+ - v- =  1.9159D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.6568D-01  ,  v+ - v- =  7.0424D-04
      rms-error for atom  4 :v+ + v- =  1.6878D-01  ,  v+ - v- =  1.9159D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.6568D-01  ,  v+ - v- =  7.0424D-04
      rms-error for atom  5 :v+ + v- =  1.2153D-01  ,  v+ - v- =  2.2626D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.4209D-01  ,  v+ - v- =  4.2831D-04
      rms-error for atom  6 :v+ + v- =  1.2167D-01  ,  v+ - v- =  2.2627D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.4222D-01  ,  v+ - v- =  4.2820D-04
      rms-error for atom  7 :v+ + v- =  1.2167D-01  ,  v+ - v- =  2.2627D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.4222D-01  ,  v+ - v- =  4.2820D-04
      rms-error for atom  8 :v+ + v- =  1.0587D-01  ,  v+ - v- =  2.0997D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.4970D-01  ,  v+ - v- =  7.9391D-04
      rms-error for atom  9 :v+ + v- =  7.6039D-02  ,  v+ - v- =  2.2351D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.2837D-01  ,  v+ - v- =  6.5356D-04
      rms-error for atom 10 :v+ + v- =  7.5996D-02  ,  v+ - v- =  2.2351D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.2843D-01  ,  v+ - v- =  6.5330D-04
      rms-error for atom 11 :v+ + v- =  7.5996D-02  ,  v+ - v- =  2.2351D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.2843D-01  ,  v+ - v- =  6.5330D-04
      rms-error for atom 12 :v+ + v- =  5.3520D-02  ,  v+ - v- =  1.8940D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.0451D-01  ,  v+ - v- =  7.8658D-04
      rms-error for atom 13 :v+ + v- =  2.0794D-02  ,  v+ - v- =  1.8194D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  6.3199D-02  ,  v+ - v- =  5.9394D-04
      rms-error for atom 14 :v+ + v- =  2.0842D-02  ,  v+ - v- =  1.8194D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  6.3301D-02  ,  v+ - v- =  5.9405D-04
      rms-error for atom 15 :v+ + v- =  2.0842D-02  ,  v+ - v- =  1.8194D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  6.3301D-02  ,  v+ - v- =  5.9405D-04
      rms-error for atom 16 :v+ + v- =  3.3397D-02  ,  v+ - v- =  1.8447D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.6007D-02  ,  v+ - v- =  6.1908D-04
      rms-error for atom 17 :v+ + v- =  3.3262D-02  ,  v+ - v- =  1.8447D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.6160D-02  ,  v+ - v- =  6.1700D-04
      rms-error for atom 18 :v+ + v- =  3.3262D-02  ,  v+ - v- =  1.8447D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.6160D-02  ,  v+ - v- =  6.1700D-04
      rms-error for atom 19 :v+ + v- =  3.3397D-02  ,  v+ - v- =  1.8447D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.6007D-02  ,  v+ - v- =  6.1908D-04
      rms-error for atom 20 :v+ + v- =  3.3377D-02  ,  v+ - v- =  1.8447D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.6059D-02  ,  v+ - v- =  6.2068D-04
      rms-error for atom 21 :v+ + v- =  3.3377D-02  ,  v+ - v- =  1.8447D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.6059D-02  ,  v+ - v- =  6.2068D-04
      rms-error for atom 22 :v+ + v- =  4.2254D-02  ,  v+ - v- =  2.0078D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.4153D-02  ,  v+ - v- =  4.4640D-04
      rms-error for atom 23 :v+ + v- =  4.2231D-02  ,  v+ - v- =  2.0079D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.4402D-02  ,  v+ - v- =  4.4625D-04
      rms-error for atom 24 :v+ + v- =  4.2231D-02  ,  v+ - v- =  2.0079D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.4402D-02  ,  v+ - v- =  4.4625D-04
      ITERATION   4 average rms-error : v+ + v- =  2.5640D-01
                                        v+ - v- =  1.9963D-02
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.057736905434995E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  6.515922660630530E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.355614933306181E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.289926562785934E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.723180414811040E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.942360564041268E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  1.006523467576671E-010
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  2.997942380999400E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  1.074829528800249E-010
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.493572776796378E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  8.861921633384636E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.876904630573860E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  8.806667858496946E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  9.664108361930235E-007
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  2.048722066840565E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  2.792051627336848E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  7.054154785436679E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  1.968589569336620E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.213879846150207E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.668811698260137E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.467035767997662E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  5.316123242249406E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.576635334103708E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  8.299137787226144E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.882245960837779E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.252020897576112E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.360695002582904E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.183996979609067E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  5.760849396305445E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  9.943130083631039E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  3.509931334205488E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  7.548513461464814E-007
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  9.467685959895381E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  5.976208934848191E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.267744388327318E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  8.022884604239575E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.038816672529429E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  4.457158038500030E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  6.988932651646402E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.037237259770173E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  1.104571795541821E-010
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.074190672681765E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  6.754889366104943E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.103399134306548E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.217199429824870E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.032091071484624E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.623659542720283E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.456749671558234E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.849478382850734E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  2.040692274304680E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.328740781770068E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  8.468443738734800E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.124091288225637E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.060816546840296E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  2.410749130611075E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.335239820620090E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.571924143463130E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.192893377457036E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  1.433832471770633E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.407341564273110E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.902182117031524E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  2.635044106106987E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  1.514292961424048E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.660162850272048E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  2.876099223926638E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  2.408796195779169E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  2.428191126837274E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.021005183325794E-003
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  1.768638083326537E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  2.037693144672896E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  1.757204722158385E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  3.197431343286055E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  1.205722113994826E-003
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  1.242583724446160E-003
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  1.661297031871656E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  7.168619927092184E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  1.239858450402820E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  1.467540803030801E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  2.087923773359212E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  2.635043929090980E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  1.513943349614841E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.660162810419290E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  2.876099271413466E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  2.402856557452702E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  2.428191058939407E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.021005148870150E-003
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  1.768638051561566E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  2.037693070901128E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  1.757037706336206E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  3.196328002092799E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  1.205722105327367E-003
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  1.242583698345432E-003
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  1.661296973123289E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  7.168619749793835E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  1.239471071977224E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  1.467540750779974E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  2.087923832797250E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  5.063229553586512E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  5.366988367925931E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.226994687145089E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  2.732000533449726E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.715761220780014E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  2.681944114423278E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  4.788254658826623E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.701730069828189E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.274364916044088E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.111993676263093E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  2.457474815631713E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.423691076568054E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  1.724045155804265E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.735526286919100E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  2.260598547141266E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  5.172052412149734E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  2.282029102037691E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  3.943556508475485E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  7.231303035198981E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  7.423388013846863E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  3.650279557015387E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  4.229230325306828E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.014180108727182E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.273839018737077E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  9.707827877591228E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  6.828602114287054E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  4.403562183554726E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  2.564039570896052E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.614659516598122E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  2.073016229982876E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.968913147899745E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  2.731973181310880E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  1.237143448829447E-003
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  2.682877096616768E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  2.119001785400373E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  3.323380669373334E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  1.956815385606262E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.492012391078378E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  1.228400934347503E-003
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  2.127166004717491E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  8.613814846662949E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  2.041113411796999E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  1.129775263521405E-003
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.477307426914732E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  2.282372451991844E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  7.232267487053824E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.308787777605414E-003
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  7.658656156160658E-007
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  3.875250506967220E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.603293068465839E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.795232950094470E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  2.219343413348491E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  3.412145564742665E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  5.920115202653568E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  1.281793075336900E-003
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  9.670008601080693E-008
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  1.036319436716218E-003
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  2.777067502192168E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  2.731973099743223E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  1.237143420161691E-003
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  2.682877015992752E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  2.119001732109821E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  3.323302305968553E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  1.956815474525451E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.492012408815658E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  1.228400908887048E-003
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  2.127166119232483E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  8.613814860086846E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  2.041819346850525E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  1.129775252824969E-003
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.477307386620465E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  2.282372401566737E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  7.232267251899238E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.308787739237460E-003
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  7.658508055654825E-007
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  3.876585664463127E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.603293045026973E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.795233174577103E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  2.219343443579921E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  3.412145299240391E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  5.920116596345510E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  1.281793058811428E-003
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  9.667743151995544E-008
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  1.036319408105539E-003
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  2.777067740119885E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.338020152275700E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.313470253925180E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.672732603131489E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  4.029209801849476E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  9.229191680993591E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  2.488110737660085E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.038009086738639E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  3.358796187631586E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.301338733553577E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  2.107419269664907E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.226942468395772E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.554804042665592E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.877632890359635E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  4.814204313003235E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.926259900157190E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  1.725353801148775E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.773758363566387E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  5.906574694234965E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.166990379528947E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  9.062324383589559E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  4.157872470098989E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  8.633753003797653E-007
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.659842556173233E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  7.692968250416747E-007
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.308122204175650E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  2.117948269499078E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  6.026987283590259E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.168026414311107E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  5.637594934118807E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.031734611957051E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  6.028326820455303E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  3.873195944884650E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.591126205077917E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  9.832484098535453E-007
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.452189616704287E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  1.363903629127627E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.300200546263839E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  2.808841980077131E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  2.022767317649871E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  3.770868128720756E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  1.198700539413440E-010
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  1.970290159814399E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.113044606493841E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  5.394095297142637E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  7.015656648748129E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.601636458331724E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  1.717521087211569E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  4.389734753932136E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.448370490655523E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  6.030241628442485E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.335060871308892E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  1.553304736186354E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  1.195964261942083E-010
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  3.818503547617201E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  3.437017979979823E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  1.629920364669948E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  7.182084484826374E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  4.168417024570850E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.161703794864932E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  6.382680643803153E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.193184992584389E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  5.017927240636662E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  2.209245195850304E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.403968040707980E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  1.623351801381563E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.611634064716222E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  1.004124118438500E-003
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  1.741768910022858E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  9.856061977992377E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  1.705197399436789E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  4.180496466061526E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  1.156399735942801E-003
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  1.253396490096866E-003
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  8.582600665781603E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  1.487316987212893E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  7.237838995484103E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  8.982666332449598E-007
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  6.669767591522802E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  7.747386805153860E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  1.412315617901051E-003
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  1.879169019711009E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  8.140308543272573E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  9.854907770584409E-007
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  1.928275200106339E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  1.345637888419306E-003
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  2.367273655109283E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  3.195361746223986E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  8.699439375707671E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  1.405237965423985E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  1.104272646750845E-003
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  1.913352387649973E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  8.117387727593658E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  2.629152678167501E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  5.017224880757919E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  5.522588581668222E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  9.856061273802999E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  1.705197348125139E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  4.180571543524534E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  1.156399756507723E-003
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  1.253396543842315E-003
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  8.582600310273881E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  1.487317112180923E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  7.237838723284143E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  8.984311119979010E-007
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  6.669767279340978E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  7.747386620205310E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  1.412315657880510E-003
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  1.879168973714667E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  8.140308496592774E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  9.855167157740978E-007
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  1.928275151796091E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  1.345637926500587E-003
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  2.367792323624298E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  3.195361855431464E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  8.699440105193200E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  1.405237878901975E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  1.104272623454846E-003
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  1.913352382280402E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  8.117387618783330E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  2.629887666434256E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  5.017224667532969E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  5.522587231762932E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  6.423094617278635E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.708454942390750E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.738851392409733E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  9.982822617456952E-007
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.066467158756705E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  5.049414669829212E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.333265651771117E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.174112331726027E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.976609974407468E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  9.916653353628800E-007
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.525450011711430E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  3.005241193312439E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.027535535078836E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  4.290403835145548E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.897748407232529E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  9.333595377112670E-007
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.211078286803259E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.117332317240742E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  9.950120176511198E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.922419140335106E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.303219975378573E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  6.000515336722354E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.328095872556911E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  4.604519858001207E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.187842719436072E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.622574805337681E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.975085530268159E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.293423963805810E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  2.354571526675246E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.756781476000035E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.483886867341829E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.474987802020583E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.361393397169033E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  8.026715574060456E-007
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.049029769374154E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  4.582964098777054E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.308906817957033E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.536482808051020E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  1.838040451939214E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.350994615492340E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.147021813138183E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  8.902552053282741E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.229038844061638E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  1.009792737398981E-010
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.426399646016534E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.734473742338265E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  2.221820955198980E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.459838771426299E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  5.356133727835990E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  8.591419358168717E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  7.133776049072682E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.501811588594109E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.251634738902423E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  6.480259148721600E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.144341253916054E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  1.841709920091763E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.719621453162559E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.854219791230531E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.065463664742570E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.039243798563024E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  8.248398315293002E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  9.631749232173816E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.183729241595749E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  8.139116088228335E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.836914909790146E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  8.589157806787981E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.362594135290011E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  7.130620636666040E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.860842273300676E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.074994654289454E-003
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.796009726840604E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.164382055109071E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  7.442883076713847E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.111488805844392E-003
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  1.924991400594708E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.696714844735457E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  7.131423300049418E-007
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  4.300164024206161E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  3.572971919672645E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.606152731468911E-003
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.596029105509522E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  3.245052566002213E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  5.613039323106101E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  9.211452561446390E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  2.691991261930023E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  9.276310141517624E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  6.179784703028948E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  2.152098303526696E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  4.125702022194041E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  7.441144409831387E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  4.070263411891199E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  7.051797758604932E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  4.297140082062468E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  2.058382219373603E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.217760801794082E-003
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  7.147083228101031E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.860841871227591E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.074994646601701E-003
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.796009711423716E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.163517062146858E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  7.442881490518859E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.111488762877441E-003
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  1.924991654596928E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.696714821940881E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  7.130282677592570E-007
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  4.300164025503816E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  3.572971886596206E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.606152588237968E-003
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.596029160947785E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  3.245052411342738E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  5.613039555043869E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  9.211452352976520E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  2.693152099583717E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  9.276309979705226E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  6.179782983654799E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  2.150655417881305E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  4.125701966097727E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  7.441144872125445E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  4.070263393558880E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  7.051797054333860E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  4.297139998933455E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  2.057375420728123E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.217760780300156E-003
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  7.147083197923326E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  5.641752711625707E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  3.013797158147063E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  8.315298437220972E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  2.732630034227839E-004
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  6.312870835714485E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  3.078272257706945E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  7.886186758706728E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  8.881181818683268E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  2.494016031491670E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  4.250808991674438E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  4.586887710051463E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  2.339123566661186E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.447654516130352E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.125014112859901E-004
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.145664509311820E-003
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  7.024672241328205E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  6.329512169969111E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.799729757127892E-004
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  2.379481618515123E-004
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.896006881951491E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  5.298138705993579E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  5.213111586746842E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  8.073448428087918E-004
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.377859804722770E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  2.761053584889571E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  2.391585835186245E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  5.652188860035602E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  4.100903888164459E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.811762918805193E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.571498151301067E-004
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  3.709832970431778E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  8.533289461029751E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  7.741108024580011E-004
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  5.377871023792231E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  1.796921318517313E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  5.095685957722930E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  3.921991974174974E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  5.711413046391998E-004
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  5.070480596477213E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  4.899054328197343E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  6.116736512981295E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  8.878320424698756E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  8.974526329163684E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  5.458816952273861E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  3.112369848586473E-004
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  4.119318141326766E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  7.750274140852800E-004
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.127375628459196E-004
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  7.569474946985603E-004
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.438461516836841E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  3.960358580700121E-004
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  3.973298547838015E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  4.080185591961264E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  2.064760256406342E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  3.954195919124510E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  5.215333335088773E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  9.480063839634134E-004
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  7.035941277863658E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  2.759287516759666E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  4.996551825644241E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  3.979437688904604E-004
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  1.459991706383570E-004
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  3.156171528271510E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.665491532157045E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  5.343163340152325E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  8.517671933501918E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  8.738458685912114E-004
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  3.137649961959645E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  1.796920766647496E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  5.095685696546051E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  3.921994738942164E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  5.711411635910335E-004
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  5.070480256652040E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  4.899053262998534E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  6.116736027014811E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  8.878318408326039E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  8.974523296931328E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  5.458815672221523E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  3.112369643808728E-004
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  4.119315560781795E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  7.750273569775425E-004
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.127376925598882E-004
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  7.569474318417977E-004
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.438461454126405E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  3.960356299770916E-004
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  3.973296557352371E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  4.080185165572117E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  2.064758701947063E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  3.954195652781209E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  5.215337842307428E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  9.480063127389800E-004
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  7.035939011535752E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  2.759285538882362E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  4.996551347594066E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  3.979436434777774E-004
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  1.459992369075637E-004
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  3.156171319294058E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.665490180520791E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  5.343162896520410E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  8.517663028755568E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  8.738458016301549E-004
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  3.137648317145776E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  5.641752074194898E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  3.013791507011975E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  8.315297178251705E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  2.732631173599606E-004
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  6.312870142123427E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  3.078271382150347E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  7.886185928165117E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  8.881182734306073E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  2.494018439541135E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  4.250810257215624E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  4.586887256067986E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  2.339120877256142E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.447653688428806E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.125012763929578E-004
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.145664427533735E-003
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  7.024671581403224E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  6.329514081584458E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.799731440296827E-004
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  2.379481431870663E-004
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.896005816980086E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  5.298138248743394E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  5.213106717559882E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  8.073447746258248E-004
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.377858156780357E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  2.761055179399168E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  2.391585604392501E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  5.652189817580077E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  4.100903179613198E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.811762573047630E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.571499297208788E-004
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  3.709832709633720E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  8.533297338518944E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  7.741107391676410E-004
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  5.377869395823947E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  4.669029440545168E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  9.417882654458880E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.932187469815726E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  6.110823733148650E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  8.045022886149397E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  2.911592279720964E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  6.388889821089945E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  2.235762956422833E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  8.882165967027098E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  1.093432398596876E-003
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  9.295326639781775E-004
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  2.999716434612329E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  4.166344421873925E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.687356055691893E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.126560662472082E-004
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  4.197738217302536E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  5.204114439312437E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  1.011423243609082E-003
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  5.283742992757822E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  2.997059368906065E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  3.451105705783936E-004
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  1.809015937923100E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  5.217468099727068E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  1.751577863015707E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  5.247767642910790E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  2.759680659181467E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  4.614378337796415E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  9.501183409266272E-004
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  5.201025184994192E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.006898265499443E-004
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  3.990987001875787E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  1.912163541337174E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  8.525171911708017E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  1.324757295774443E-004
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  3.662861669357644E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  4.669028473683289E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  9.417885153603572E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.932187548257393E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  6.110828246656003E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  8.045021597954992E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  2.911592497542928E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  6.388889508182405E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  2.235763094898937E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  8.882167409551301E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  1.093432136548260E-003
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  9.295325440600978E-004
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  2.999716483799515E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  4.166343496010840E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.687356142147776E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.126559378516517E-004
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  4.197738377146419E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  5.204114540954860E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  1.011423035690994E-003
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  5.283741037041772E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  2.997059343562438E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  3.451105908314200E-004
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  1.809016023405164E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  5.217463307177999E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  1.751577725401514E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  5.247765790362017E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  2.759682441324819E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  4.614378336631459E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  9.501182311632058E-004
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  5.201025895283927E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.006898329597622E-004
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  3.990985716361678E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  1.912163469636238E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  8.525180308888869E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  1.324757161388751E-004
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  3.662862485769552E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  4.389299906916455E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.040004359137440E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.286328460977714E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  5.549928844268400E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  6.277168128766287E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  4.070863446333561E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  1.407006320727007E-003
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  3.144247158980432E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  3.721933275695116E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.820892179814023E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.250861815264154E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.156409196576395E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.005008651387377E-003
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.505377773265948E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  2.077233104155235E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.291652494447730E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  3.038625534224171E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  2.425613331085643E-004
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  6.594921685877292E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  6.727153969058001E-004
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.734349819632348E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  6.685541148249498E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  2.552703155975195E-004
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  9.336975831993970E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  4.199443386535740E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  1.764744116624302E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  6.059398192183799E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  5.422508778026539E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.672568323559916E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  2.543458668138203E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.640674040204074E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.281257366265754E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  4.046774621676226E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.424600749992479E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  3.161969945979831E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.238292104581961E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  3.222607385741999E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.348968847973952E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  4.790146317156103E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  9.650661345121100E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.675718429535326E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  2.769649400019793E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  6.275048523824428E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  3.231097537835124E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  7.025668373737768E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  1.220204660880054E-003
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.863233341142699E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.511920750514792E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.661331010182036E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.788227892297913E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  5.045863120702733E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  8.761104891894444E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  1.033782648446896E-004
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.091085307784604E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.534317889871544E-004
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.214449101234074E-004
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  5.260791815327917E-004
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  6.723575584343314E-004
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  3.644692825488127E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  3.337175889035144E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  2.553710144886838E-004
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  5.795575643888773E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  2.102817091072362E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  1.859267708856620E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  3.031124589612863E-004
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.106291924535767E-004
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  3.440457732212350E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  1.274072300858798E-004
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.824223915169705E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  2.756117664808811E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  2.030062398193932E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  3.525933435659795E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  1.590283252790972E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  1.822119808571632E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.626932303406452E-004
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  2.206512026430435E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  4.790139801633582E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  9.650661247299696E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.675717244781591E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  2.769649424187320E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  6.275048313394235E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  3.231097605862253E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  7.025668262568054E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  1.220204635143683E-003
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.863233360339738E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.511990424868859E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.661328663814631E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.788227799599007E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  5.045863020188995E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  8.761100061871963E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  1.033782662185919E-004
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.092269575596321E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.534317886932947E-004
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.214449131614298E-004
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  5.260791926118312E-004
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  6.723575330159668E-004
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  3.644693088428532E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  3.337175832147886E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  2.553710074974185E-004
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  5.795575580592353E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  2.102817122169780E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  1.859349698809436E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  3.031124638903919E-004
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.106292038581700E-004
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  3.442159735424297E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  1.274072305980268E-004
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.824220751480115E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  2.756115085281337E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  2.030062349769037E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  3.525932820141090E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  1.590283246613723E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  1.811536782986190E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.626932299436657E-004
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  2.206509217751028E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.017035653791976E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  6.352247910439534E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.493935394729681E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.114641518432240E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.658154089977886E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.894753809427181E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  1.016758977634469E-010
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  3.185607133535059E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.173441772815528E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  1.493403781406468E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.476254957896760E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.863074147624103E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  8.625218649084339E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  9.772700405441097E-007
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  2.030648269325695E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  2.704668052167311E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  7.316100699332279E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  1.988504481256539E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.247495478501059E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.639831321586258E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.452547361318003E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  4.804539560668717E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.657804469588063E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  8.075262709570301E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.906824117546947E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.187915647401201E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.365216722868745E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.174623398017485E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  5.620524875086447E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  9.796912851046066E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.552873830311030E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  7.281935033154212E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  9.304414913909141E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  5.720203863522942E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.272752902356265E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  7.345192117767428E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.060985178161324E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  4.699875010621940E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  7.460296340301251E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.149014756611001E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  1.159824595274321E-010
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.091545477572790E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  6.743339234662704E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.139513566111380E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.211201000480934E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.090780138039392E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.694991086808841E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.506685405305014E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.867257143195858E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  2.048150930459543E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.523265330954054E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.657552538692516E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.632192547856470E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.067776057812779E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  2.491874019412171E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.375416922678225E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.554219550593296E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.237461566321576E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  1.433982476405010E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.421955138650008E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  2.014856423595585E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  2.709462648469932E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  1.484618364478926E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  1.703948878102095E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  2.952041842122101E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  1.938291858805304E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  2.471654018008286E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  1.024684823644989E-003
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  1.775027329894104E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  2.052075909363627E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  1.720856365741918E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  3.115256558859176E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.246336450219449E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  1.242739824591382E-003
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  1.676249948825822E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  7.169934231183236E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  1.118394253418882E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  1.465732947090461E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  2.158299246937879E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  2.709462473525642E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  1.484246943590424E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  1.703948833570542E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  2.952041896903922E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  1.932460145542263E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  2.471653948231904E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  1.024684789622643E-003
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  1.775027295694748E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  2.052075837235301E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  1.720510362525653E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  3.114116998497226E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.246336438337522E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  1.242739794779161E-003
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  1.676249890676187E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  7.169934055024901E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  1.117977637402608E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  1.465732897161380E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  2.158299310281271E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  5.189170042985686E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  5.626190062793127E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  7.471876167668482E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  2.755482974906160E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.729931752209760E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  2.761487327071999E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  4.882320025646274E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.732339796459116E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.309583215197857E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.151661932264566E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  2.466437868485422E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.457576855194378E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  1.740419971049777E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.782987362787787E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  2.282399020036084E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  5.333959450637345E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  2.282674166964691E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  3.949691366023499E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  7.277803186865825E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  7.690795223763744E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  3.653277879920098E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  4.223767508993533E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  5.971912672171064E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.321536067333834E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  1.024457647554596E-010
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  6.721553440576768E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  4.432093719022368E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  2.608530695286943E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.617751283047321E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  2.108940499983991E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  2.049882654271208E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  2.755350639068873E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  1.235808288504453E-003
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  2.762304677579294E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  2.129254189069643E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  3.544882709407783E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  1.975679700313098E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.506154314795525E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  1.232814137557273E-003
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  2.134906626217199E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  8.695206792354786E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  2.164512980211797E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  1.140629087519078E-003
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.477560596520455E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  2.282986696295597E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  7.278993800927108E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.314974993685732E-003
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  7.979838661368275E-007
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  3.849885495566028E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.630520212278926E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.826313680012289E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  2.257801741093336E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  3.358518045279561E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  5.827468109285513E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.303968271306415E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.032529604795155E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  1.054215181754341E-003
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  2.824287714842967E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  2.755350558237800E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  1.235808260841440E-003
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  2.762304601372530E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  2.129254133933401E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  3.544804886846814E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  1.975679795335608E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.506154334746022E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  1.232814107753935E-003
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  2.134906751124464E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  8.695206795520439E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  2.165228174978222E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  1.140629074066990E-003
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.477560555874474E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  2.282986644082083E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  7.278993549421933E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.314974955302991E-003
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  7.979686146975675E-007
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  3.851235027527900E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.630520184407832E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.826313909259251E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  2.257801776078056E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  3.358517762984157E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  5.827469489510603E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.303968250531119E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.032302825418204E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  1.054215149102184E-003
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  2.824287958900115E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  1.421280463817783E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.406589369554873E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.766727095418579E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  4.234742343233238E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.471040002916134E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  3.015801571839456E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.036397305499250E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  3.644069139790237E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.346834773824290E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  2.323314740121057E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.260542403323966E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.593980259252825E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.962053020744971E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  4.675304072578919E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.961664959568542E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  1.820810763323701E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.828806728643820E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  6.546058322766259E-007
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  1.239549153926464E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  9.266278860109627E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.427275319850985E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  8.864749253074035E-007
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.745571479938559E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  8.496377191156185E-007
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.431712051527980E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  2.255094177408895E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.315537444345774E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171045808718244E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  5.168561309614299E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.061769007979792E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.220361939352918E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  4.121600244920195E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.827794522006105E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.053632279185753E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.454448231971759E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  1.454656193417801E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.344364770613931E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  2.872719005769296E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  2.066168610165335E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.631381866662062E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.310062939286113E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  1.959107759048223E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.110383568879707E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  5.743505255076162E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.977448455485704E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.826537364013738E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  1.710125790605250E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  4.173305862445590E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.447391714948036E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  5.870622301820097E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.346352389924219E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  1.521591757221526E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  1.212579680874183E-010
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  3.943048125543134E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  3.470526528398181E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  1.626599714791830E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  7.185549033071670E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  4.427154792719560E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.149013467498298E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  6.211838300323614E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.058313425321338E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  4.807646562072482E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  2.187933691359849E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.449432859427507E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  1.626178040070209E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.608069136414167E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  9.913969045934677E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  1.678351035244965E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  9.799599713807994E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  1.695371417941865E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  4.425279841575317E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  1.166224780484511E-003
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  1.252454131058244E-003
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  8.545710092021559E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  1.480906591803502E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  7.232741300693175E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  9.972568376127176E-007
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  6.725872170386833E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  7.588524656896144E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  1.409473235242465E-003
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  1.869772641705397E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  8.123631084251875E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.019385655070305E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  1.923158239796707E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  1.318188067391259E-003
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  2.517700674848466E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  3.109769490927863E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  8.589088795838289E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  1.407628802027432E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  1.093600528085768E-003
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  1.894895733361889E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  8.131493237150338E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  2.763405196274079E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  4.953646810195969E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  5.374392338031094E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  9.799599017777877E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  1.695371360231708E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  4.425348331699096E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  1.166224797770218E-003
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  1.252454183248604E-003
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  8.545709755663852E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  1.480906710285567E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  7.232741008321372E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  9.974190873527821E-007
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  6.725871838719856E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  7.588524475160371E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  1.409473275539004E-003
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  1.869772594396395E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  8.123631047568927E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.019411114407919E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  1.923158195028308E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  1.318188103727657E-003
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  2.518227165427182E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  3.109769567178271E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  8.589089463532768E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  1.407628715645601E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  1.093600502390035E-003
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  1.894895723843894E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  8.131493103833678E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  2.764132635885046E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  4.953646602700426E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  5.374391062568471E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  6.315928094790479E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.119547726286256E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.831174475243412E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  1.019765899744589E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.118314375790364E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  4.792398743742158E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.721599572867407E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.172247131739785E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.085523476654875E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.049462185487967E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.644969132054463E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.050061272800101E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.024340157264019E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  4.143905066071898E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.899778114849023E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  9.300699507440106E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.224112399323106E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.132247665158019E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  9.875587692816958E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.009390350952580E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.633546284170862E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  6.090670365553001E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.119622673644773E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  4.487061027558307E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.232137625379782E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.622447513572537E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.478988020993921E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.293077285604510E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  2.339412655458705E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.496488239454721E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.549728917257172E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.474925706803686E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.565555269690906E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  7.922054714537124E-007
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.050522808893303E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  4.676125666451732E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.359084734605405E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.545998737715816E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.811518945570009E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.154777367193213E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.131100023984651E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.581813581111030E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.255984986976723E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  9.538134947009087E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.410797596492630E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.755414941093138E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  2.210293171754162E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.418498087157138E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.059719442330673E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  8.282977110377837E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  6.755963557018514E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.513229619347687E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.251404471096045E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  6.282820837769478E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.127610405844291E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  1.852451341043116E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.711524064180480E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.800284377898027E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.072897494629135E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.016215605244996E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  8.217408042825742E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  9.842826050861699E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.180623697070873E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  8.049981925453673E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.792415706969219E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  8.497122028930742E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.235459063098091E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  6.988032594832098E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.847071283096165E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.066916499175971E-003
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.807082174999035E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.085262741653308E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  7.175809768661185E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.105767120124661E-003
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  1.915013744468022E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.678468983676261E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  6.871170165796646E-007
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  4.145914878716251E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  3.384135162337728E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.559452385661223E-003
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  1.605359202774795E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  3.146688937930917E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  5.442018678828031E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  9.265091400573122E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  2.654106620005705E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  9.007084697865247E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  5.852660635821180E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  2.092871221458569E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  4.110234152877448E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  7.361514685638839E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  4.025674020829835E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  6.974672109417261E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  4.251388210256957E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  1.991783994365938E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  1.193839141109042E-003
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  7.120326001411457E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.847070887151502E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.066916489524280E-003
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.807082157839737E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.084460913102137E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  7.175808284664022E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.105767077482225E-003
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  1.915013990800429E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.678468962037910E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  6.870115485082697E-007
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  4.145914885228329E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  3.384135142210980E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.559452242379236E-003
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  1.605359258447306E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  3.146688791374059E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  5.442018916177955E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  9.265091187659732E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  2.655260978073907E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  9.007084556791276E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  5.852658964710024E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  2.091458905256961E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  4.110234097851342E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  7.361515119233246E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  4.025674004448557E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  6.974671425018662E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  4.251388128394209E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  1.990810469262557E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  1.193839121167860E-003
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  7.120325945871193E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  5.434958906343333E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  2.597321136937035E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  6.530602839563885E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  2.316902777474723E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  5.831615731230697E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.299193926743155E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  7.781989058897527E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  8.792791443683515E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  2.359672850375483E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  4.136815502753848E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  4.521266904804963E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  1.923114928269978E-004
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  8.159969165349541E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.043699405431681E-004
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  1.087415359988576E-003
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  6.395086227869089E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  5.960567139766464E-004
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  1.757785133823976E-004
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  2.181822564182395E-004
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  3.654951487444348E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  4.876377117206653E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  5.107430342588758E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  7.569712940513897E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  2.526559644253904E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  2.718868049848300E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  2.260604585317381E-004
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  5.078481988961709E-004
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  3.701124561981315E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  3.587522204802145E-004
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.531205116135779E-004
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.486682430825526E-004
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  8.689663285933199E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  7.291904800319727E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  5.168346888975816E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.695009075695013E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.484815621260864E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  4.053528075305706E-004
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.878670336253906E-004
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.660762789256809E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  4.855420727272268E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  5.634611003509144E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  8.791230918426184E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  8.671653272294818E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  5.324026659476939E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  3.024469870376223E-004
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  3.888334083160677E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  7.468509986510939E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.045335587860257E-004
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  6.998346286861890E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  2.091954060421606E-004
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  3.703240909119543E-004
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  3.668419513018377E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  3.824238495631093E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  1.887736176356267E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  3.677009591097546E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  5.109563151508979E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.911247119454577E-004
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  6.582783084100994E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  2.717542967066929E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  4.824321788301096E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  3.875090058995465E-004
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  1.457433454722086E-004
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  3.016024443267589E-004
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  2.486085309072180E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  4.881008043576127E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  8.676075136015452E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  8.015591379896754E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  2.952835791931075E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.695008519827753E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.484815467722834E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  4.053531706954740E-004
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.878668868087481E-004
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.660762441847124E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  4.855419557503818E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  5.634610526826557E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  8.791228899125866E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  8.671650275844811E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  5.324025336446508E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  3.024469689752055E-004
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  3.888331640663888E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  7.468509421126565E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.045336829207297E-004
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  6.998345665924805E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  2.091953987871023E-004
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  3.703238661464438E-004
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  3.668417588635007E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  3.824238068568347E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  1.887734622933222E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  3.677009335065781E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  5.109564901913372E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.911246425259961E-004
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  6.582780822813871E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  2.717540993767632E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  4.824321313234303E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  3.875088787641957E-004
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  1.457434124704628E-004
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  3.016024238044341E-004
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  2.486083962066177E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  4.881007606407117E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  8.676066016670345E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  8.015590726249155E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  2.952834166937470E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  5.434958299552093E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  2.597324161700512E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  6.530601507495890E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  2.316903871512508E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  5.831615027295369E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.299192822352294E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  7.781988224966654E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  8.792792229979405E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  2.359674982492336E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  4.136816727948215E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  4.521266451278571E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  1.923112579822407E-004
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  8.159968334638485E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.043698110119423E-004
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  1.087415279786019E-003
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  6.395085556877971E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  5.960569094212016E-004
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  1.757786803032608E-004
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  2.181822388431081E-004
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  3.654950391484219E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  4.876376654781925E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  5.107428070703431E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  7.569712268693744E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  2.526557935414125E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  2.718869596388252E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  2.260604359960032E-004
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  5.078482964440247E-004
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  3.701123872444919E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  3.587521856816398E-004
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.531206248762321E-004
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.486682171185602E-004
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  8.689671245810761E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  7.291904173275420E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  5.168345265758020E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  4.336024678506071E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  1.039230922730518E-003
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  2.187151673663947E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  5.606683078798238E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  7.702267154134526E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  3.411051739593176E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  5.762912871956987E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  2.585226442131059E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  8.791674368901445E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  1.025103048413452E-003
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  8.956963816086111E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  2.563926115281511E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  4.170597221446797E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.816652480803575E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.045264627496235E-004
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  4.292887306382088E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  5.050740820885581E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  9.495952819104616E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  4.872346590924278E-004
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  2.796818354766671E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  3.217140149659913E-004
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.736061815613773E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  5.101773743753656E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  1.665402775413435E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.626970269113629E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  2.716887024072835E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  4.400588447007620E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  8.824892062397270E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  4.804480545091662E-004
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  9.274637874004716E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.781611490772036E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  1.700527342595811E-004
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  8.679180827346342E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.110226821300679E-004
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.539019934578607E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  4.336023556382495E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  1.039231240754203E-003
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  2.187151735622638E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  5.606684441228336E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  7.702265825094335E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  3.411051948918270E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  5.762912605315299E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  2.585226565128451E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  8.791675760418148E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  1.025102791321868E-003
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  8.956962627919221E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  2.563926166885883E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  4.170596129373422E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.816652564999136E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.045263377131223E-004
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  4.292887499221930E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  5.050740913227264E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  9.495950739919601E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  4.872344675017624E-004
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  2.796818307532558E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  3.217140425493180E-004
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.736061896204605E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  5.101771582460093E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  1.665402608448564E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.626968473001897E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  2.716888783178525E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  4.400588429559637E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  8.824890953722115E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  4.804481246135255E-004
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  9.274638534147520E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.781610219257405E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  1.700527262531606E-004
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  8.679189426507921E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.110226698292188E-004
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.539020777390365E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  4.486326424838314E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.842662538399491E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.478016790919331E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  4.328112203807055E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  5.703215989532045E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  3.679462958555201E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.352449451341772E-003
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  2.985695288310211E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  3.483326283892826E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  3.783432234733007E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.256222308285622E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.250977115087924E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  9.925463322271015E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.537530699313657E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.269842704134188E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  8.044899834336340E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  2.857147542581257E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  2.266608626314280E-004
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  5.792097199360108E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  6.219872777635998E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.647744593337423E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  6.456154319002411E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  2.341978462697906E-004
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  9.029201920738570E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  3.830230262322536E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  1.394454829072346E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  5.509356805285696E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  4.989588648626565E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.602210908174298E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  2.196001926195787E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.655538588512531E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.287683528909435E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  4.044948867384887E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.420343123452751E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  3.127516832038568E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.184882667770687E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  3.143393041020960E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.331038804890324E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  3.736480566356959E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  9.604625536976207E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.667793878734973E-003
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  2.159352039890380E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  5.701590020769086E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  3.023925598595787E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  6.753630645717880E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.173078690732111E-003
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.744630485213623E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.451992347932340E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  2.506844725800799E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.955074197776301E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  4.986214741260874E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  8.658173412820397E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.129981128518131E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.112464924563951E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  1.444983589598603E-004
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.134909397652519E-004
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  4.784444852690879E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  6.216750837266051E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  3.324781925524359E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  3.222783403487795E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  2.342754821520280E-004
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  5.597355336357465E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.918204794115305E-004
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  1.895970256460145E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  2.756042992090757E-004
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  1.968451370074773E-004
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  3.443453736457830E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.100728955721209E-004
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  2.757720898819257E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  2.727615849904282E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  2.029963851085404E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  3.525951624673146E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  1.573746784003615E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  1.811072004304291E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  1.588486659232152E-004
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  1.906749969576853E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  3.736474517134980E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  9.604625618363715E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.667792684709721E-003
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  2.159351994376647E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  5.701589805352443E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  3.023925702920857E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  6.753630527822928E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.173078664305128E-003
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.744630532212237E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.452072019626483E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  2.506842465197075E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.955074154178927E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  4.986214670937360E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  8.658168612879970E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.129981149212907E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.113598205814984E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  1.444983602224834E-004
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.134909439124385E-004
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  4.784444988411677E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  6.216750584979492E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  3.324782205055169E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  3.222783345214060E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  2.342754759805989E-004
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  5.597355267383548E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.918204842525368E-004
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  1.895894935003107E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  2.756043058313528E-004
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  1.968451491205425E-004
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  3.444963104524682E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.100728961826801E-004
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  2.757717738172120E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  2.727613283137901E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  2.029963816168561E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  3.525951147072320E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  1.573746795532885E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  1.800601314740843E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  1.588486677215776E-004
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  1.906747231594812E-004
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6845.78779430 p = -3230.76302431
                                d =  -845.96468492 f =   -24.84873161
       valence  contribution :  s =    -0.12780949 p =    -0.03134646
                                d =    -1.04346192 f =    -0.00268266
                                ns      0.00692551
     single particle energies  spin  up    
         core   contribution :  s = -6846.16473039 p = -3231.66611183
                                d =  -846.71845747 f =   -25.37656406
       valence  contribution :  s =    -0.14681515 p =    -0.03709142
                                d =    -1.33506277 f =    -0.00309211
                                ns      0.00831703
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21900.00221832
                                   band energy per atom :   -2.7121194314

     coulomb  contribution :   0  13995.24530897  1     -0.00972044
                               2     -0.00175602  3     -0.00162073
                               4      0.00408373  5     -0.00162605
                               6     -0.00003236
     --------------------------------------------------------------------
     tot. coulomb contribution :  13995.23463711

     ex.-cor. contribution :   0   -677.73365756  1      0.01065408
                               2      0.00315036  3     -0.00535023
                               4     -0.00798749  5      0.00226793
                               6      0.00003650
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -677.73088641

     eff. pot. contribution     : -27058.38487779
     total double counting contribution                 : -13740.88112709

   Total contribution of atom  1 =-35640.88334541
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08861828 p =    -0.10429576
                                d =    -0.04853539 f =    -0.01720376
                                ns      0.04676714
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09923229 p =    -0.11669477
                                d =    -0.05576777 f =    -0.02068348
                                ns      0.05401742
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45024693
                                   band energy per atom :   -0.4502469315

     coulomb  contribution :   0      0.07809490  1      0.01272059
                               2     -0.00354494  3     -0.00339926
                               4     -0.00702843  5     -0.00093676
                               6     -0.00018041
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.07572570

     ex.-cor. contribution :   0     -0.70069349  1     -0.00067749
                               2      0.05411871  3      0.01077844
                               4      0.02080025  5      0.00429518
                               6      0.00055193
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.61082648

     eff. pot. contribution     :     -0.45741508
     total double counting contribution                 :     -0.99251586

   Total contribution of atom  2 =    -1.44276279
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08856309 p =    -0.10422336
                                d =    -0.04850786 f =    -0.01719280
                                ns      0.04671022
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09917233 p =    -0.11661230
                                d =    -0.05573349 f =    -0.02066964
                                ns      0.05395147
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45001318
                                   band energy per atom :   -0.4500131798

     coulomb  contribution :   0      0.07776002  1      0.01275819
                               2     -0.00350159  3     -0.00339698
                               4     -0.00701520  5     -0.00093467
                               6     -0.00017983
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.07548996

     ex.-cor. contribution :   0     -0.70027207  1     -0.00068746
                               2      0.05406831  3      0.01076771
                               4      0.02076990  5      0.00429131
                               6      0.00055045
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.61051186

     eff. pot. contribution     :     -0.45729044
     total double counting contribution                 :     -0.99231234

   Total contribution of atom  3 =    -1.44232552
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08856309 p =    -0.10422336
                                d =    -0.04850786 f =    -0.01719280
                                ns      0.04671022
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09917233 p =    -0.11661230
                                d =    -0.05573349 f =    -0.02066964
                                ns      0.05395147
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45001318
                                   band energy per atom :   -0.4500131797

     coulomb  contribution :   0      0.07776001  1      0.01275819
                               2     -0.00350159  3     -0.00339698
                               4     -0.00701520  5     -0.00093467
                               6     -0.00017983
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.07548995

     ex.-cor. contribution :   0     -0.70027206  1     -0.00068746
                               2      0.05406834  3      0.01076770
                               4      0.02076980  5      0.00429131
                               6      0.00055045
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.61051193

     eff. pot. contribution     :     -0.45729044
     total double counting contribution                 :     -0.99231242

   Total contribution of atom  4 =    -1.44232560
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05189233 p =    -0.06324583
                                d =    -0.02965254 f =    -0.00986938
                                ns      0.00874814
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05851157 p =    -0.07017422
                                d =    -0.03318860 f =    -0.01132979
                                ns      0.00978542
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30933069
                                   band energy per atom :   -0.3093306894

     coulomb  contribution :   0      0.03358318  1     -0.00209621
                               2     -0.00049105  3      0.00001111
                               4     -0.00495884  5      0.00030741
                               6     -0.00007761
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.02627798

     ex.-cor. contribution :   0     -0.42128356  1     -0.00004583
                               2     -0.00035157  3     -0.00000818
                               4      0.01762002  5      0.00000211
                               6      0.00114083
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40292618

     eff. pot. contribution     :     -0.44752434
     total double counting contribution                 :     -0.82417253

   Total contribution of atom  5 =    -1.13350322
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05189220 p =    -0.06325622
                                d =    -0.02965897 f =    -0.00986967
                                ns      0.00874917
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05850983 p =    -0.07018442
                                d =    -0.03319570 f =    -0.01133029
                                ns      0.00978644
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30936170
                                   band energy per atom :   -0.3093616971

     coulomb  contribution :   0      0.03368056  1     -0.00210277
                               2     -0.00049346  3      0.00001201
                               4     -0.00496351  5      0.00030845
                               6     -0.00007741
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.02636387

     ex.-cor. contribution :   0     -0.42127509  1     -0.00004624
                               2     -0.00035045  3     -0.00000822
                               4      0.01762289  5      0.00000219
                               6      0.00113871
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40291620

     eff. pot. contribution     :     -0.44750210
     total double counting contribution                 :     -0.82405443

   Total contribution of atom  6 =    -1.13341613
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05189220 p =    -0.06325622
                                d =    -0.02965897 f =    -0.00986967
                                ns      0.00874917
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05850983 p =    -0.07018442
                                d =    -0.03319570 f =    -0.01133029
                                ns      0.00978644
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30936170
                                   band energy per atom :   -0.3093616972

     coulomb  contribution :   0      0.03368055  1     -0.00210277
                               2     -0.00049346  3      0.00001201
                               4     -0.00496351  5      0.00030845
                               6     -0.00007741
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.02636386

     ex.-cor. contribution :   0     -0.42127509  1     -0.00004624
                               2     -0.00035045  3     -0.00000822
                               4      0.01762288  5      0.00000219
                               6      0.00113871
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40291621

     eff. pot. contribution     :     -0.44750210
     total double counting contribution                 :     -0.82405445

   Total contribution of atom  7 =    -1.13341614
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07507317 p =    -0.08852160
                                d =    -0.03724527 f =    -0.01020930
                                ns      0.01589613
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08440752 p =    -0.09932833
                                d =    -0.04308207 f =    -0.01231916
                                ns      0.01855379
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41573650
                                   band energy per atom :   -0.4157364998

     coulomb  contribution :   0      0.01296440  1     -0.00729294
                               2     -0.00725513  3      0.00473208
                               4     -0.00708155  5      0.00004377
                               6      0.00016108
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.00372829

     ex.-cor. contribution :   0     -0.60319821  1      0.00212699
                               2      0.00340723  3      0.00086783
                               4      0.02953670  5      0.00092487
                               6      0.00073363
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.56560097

     eff. pot. contribution     :     -0.44219645
     total double counting contribution                 :     -1.01152571

   Total contribution of atom  8 =    -1.42726221
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.58828945 p = -1089.83270376
                                d =  -190.83568897
       valence  contribution :  s =    -0.47444138 p =    -0.17999679
                                d =    -0.01702899 f =    -0.00531831
                                ns     -0.00264900
     single particle energies  spin  up    
         core   contribution :  s = -2635.88975193 p = -1090.51102599
                                d =  -191.58720840
       valence  contribution :  s =    -0.52682740 p =    -0.21515566
                                d =    -0.01961039 f =    -0.00604795
                                ns     -0.00290637
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.69465073
                                   band energy per atom :   -1.4499822416

     coulomb  contribution :   0   5100.59304434  1      0.00141359
                               2     -0.00058855  3      0.00128358
                               4     -0.00547635  5     -0.00001044
                               6      0.00002708
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.58969325

     ex.-cor. contribution :   0   -329.14186772  1      0.00000077
                               2     -0.00025616  3      0.00354527
                               4     -0.01858008  5      0.00006337
                               6      0.00037426
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15672029

     eff. pot. contribution     :  -9889.99595561
     total double counting contribution                 :  -5118.56298265

   Total contribution of atom  9 =-12954.25763337
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.58829998 p = -1089.83272675
                                d =  -190.83571296
       valence  contribution :  s =    -0.47440628 p =    -0.17996104
                                d =    -0.01702992 f =    -0.00531975
                                ns     -0.00265020
     single particle energies  spin  up    
         core   contribution :  s = -2635.88976246 p = -1090.51104896
                                d =  -191.58723236
       valence  contribution :  s =    -0.52679254 p =    -0.21511030
                                d =    -0.01961134 f =    -0.00604958
                                ns     -0.00290800
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.69462241
                                   band energy per atom :   -1.4498389411

     coulomb  contribution :   0   5100.58211083  1      0.00139932
                               2     -0.00058924  3      0.00128669
                               4     -0.00547999  5     -0.00000975
                               6      0.00002713
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.57874498

     ex.-cor. contribution :   0   -329.14157086  1      0.00000054
                               2     -0.00025790  3      0.00354399
                               4     -0.01858885  5      0.00006382
                               6      0.00037448
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15643477

     eff. pot. contribution     :  -9889.98488361
     total double counting contribution                 :  -5118.56257340

   Total contribution of atom 10 =-12954.25719581
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.58829999 p = -1089.83272675
                                d =  -190.83571296
       valence  contribution :  s =    -0.47440628 p =    -0.17996104
                                d =    -0.01702992 f =    -0.00531975
                                ns     -0.00265020
     single particle energies  spin  up    
         core   contribution :  s = -2635.88976245 p = -1090.51104896
                                d =  -191.58723236
       valence  contribution :  s =    -0.52679254 p =    -0.21511030
                                d =    -0.01961134 f =    -0.00604958
                                ns     -0.00290800
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.69462240
                                   band energy per atom :   -1.4498389410

     coulomb  contribution :   0   5100.58211089  1      0.00139932
                               2     -0.00058924  3      0.00128669
                               4     -0.00547999  5     -0.00000975
                               6      0.00002713
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.57874505

     ex.-cor. contribution :   0   -329.14157085  1      0.00000054
                               2     -0.00025790  3      0.00354299
                               4     -0.01858822  5      0.00006382
                               6      0.00037448
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15643514

     eff. pot. contribution     :  -9889.98488368
     total double counting contribution                 :  -5118.56257377

   Total contribution of atom 11 =-12954.25719618
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08788130 p =    -0.10822275
                                d =    -0.05005017 f =    -0.01505297
                                ns      0.05001486
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09723371 p =    -0.11805835
                                d =    -0.05507653 f =    -0.01706264
                                ns      0.05571590
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44290766
                                   band energy per atom :   -0.4429076639

     coulomb  contribution :   0     -0.03760487  1     -0.00570103
                               2     -0.03202364  3     -0.00219209
                               4      0.00157386  5      0.00022651
                               6     -0.00010364
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07582490

     ex.-cor. contribution :   0     -0.65086803  1     -0.00137850
                               2      0.04940879  3      0.00854102
                               4      0.01898861  5      0.00378216
                               6      0.00029877
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57122718

     eff. pot. contribution     :     -0.41206560
     total double counting contribution                 :     -1.05911768

   Total contribution of atom 12 =    -1.50202534
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74108887 p = -1151.17656071
                                d =  -209.65454742
       valence  contribution :  s =    -0.61394051 p =    -0.22917315
                                d =    -0.01382309 f =    -0.00364278
                                ns      0.00114421
     single particle energies  spin  up    
         core   contribution :  s = -2756.04260718 p = -1151.85501351
                                d =  -210.40636591
       valence  contribution :  s =    -0.66589995 p =    -0.28061138
                                d =    -0.01435137 f =    -0.00368492
                                ns      0.00110025
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.69906625
                                   band energy per atom :   -1.8228826739

     coulomb  contribution :   0   5298.76754249  1     -0.00965517
                               2     -0.00056104  3     -0.00355168
                               4     -0.00323562  5      0.00010527
                               6      0.00003935
     --------------------------------------------------------------------
     tot. coulomb contribution :   5298.75068359

     ex.-cor. contribution :   0   -339.66867923  1      0.01215944
                               2     -0.00321234  3     -0.01453501
                               4     -0.01439016  5      0.00222511
                               6     -0.00001995
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.68645214

     eff. pot. contribution     : -10302.75544528
     total double counting contribution                 :  -5343.69121382

   Total contribution of atom 13 =-13580.39028008
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74111164 p = -1151.17661162
                                d =  -209.65460324
       valence  contribution :  s =    -0.61392480 p =    -0.22916348
                                d =    -0.01382236 f =    -0.00364301
                                ns      0.00114299
     single particle energies  spin  up    
         core   contribution :  s = -2756.04262994 p = -1151.85506442
                                d =  -210.40642173
       valence  contribution :  s =    -0.66588428 p =    -0.28059887
                                d =    -0.01435054 f =    -0.00368512
                                ns      0.00109873
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.69927333
                                   band energy per atom :   -1.8228307451

     coulomb  contribution :   0   5298.76524868  1     -0.00964691
                               2     -0.00056349  3     -0.00354593
                               4     -0.00323813  5      0.00010589
                               6      0.00003936
     --------------------------------------------------------------------
     tot. coulomb contribution :   5298.74839947

     ex.-cor. contribution :   0   -339.66859758  1      0.01215941
                               2     -0.00321976  3     -0.01450816
                               4     -0.01439871  5      0.00222608
                               6     -0.00001990
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.68635863

     eff. pot. contribution     : -10302.75274070
     total double counting contribution                 :  -5343.69069986

   Total contribution of atom 14 =-13580.38997319
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74111163 p = -1151.17661163
                                d =  -209.65460324
       valence  contribution :  s =    -0.61392480 p =    -0.22916348
                                d =    -0.01382236 f =    -0.00364301
                                ns      0.00114299
     single particle energies  spin  up    
         core   contribution :  s = -2756.04262994 p = -1151.85506442
                                d =  -210.40642173
       valence  contribution :  s =    -0.66588428 p =    -0.28059887
                                d =    -0.01435054 f =    -0.00368512
                                ns      0.00109873
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.69927334
                                   band energy per atom :   -1.8228307459

     coulomb  contribution :   0   5298.76524878  1     -0.00964691
                               2     -0.00056349  3     -0.00354593
                               4     -0.00323813  5      0.00010589
                               6      0.00003936
     --------------------------------------------------------------------
     tot. coulomb contribution :   5298.74839957

     ex.-cor. contribution :   0   -339.66859757  1      0.01215941
                               2     -0.00321978  3     -0.01450770
                               4     -0.01440029  5      0.00222608
                               6     -0.00001990
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.68635975

     eff. pot. contribution     : -10302.75274079
     total double counting contribution                 :  -5343.69070097

   Total contribution of atom 15 =-13580.38997430
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75778567 p = -1151.21446165
                                d =  -209.69719272
       valence  contribution :  s =    -0.61834393 p =    -0.23401355
                                d =    -0.01353827 f =    -0.00351437
                                ns      0.00026274
     single particle energies  spin  up    
         core   contribution :  s = -2756.05928669 p = -1151.89286742
                                d =  -210.44892753
       valence  contribution :  s =    -0.67011268 p =    -0.28623076
                                d =    -0.01428558 f =    -0.00366824
                                ns      0.00037590
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.91359042
                                   band energy per atom :   -1.8430687456

     coulomb  contribution :   0   5301.20972983  1      0.00033029
                               2     -0.00112557  3     -0.00366406
                               4     -0.00454321  5      0.00039431
                               6     -0.00001029
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.20111130

     ex.-cor. contribution :   0   -339.73353053  1      0.01200454
                               2     -0.00371175  3     -0.01366417
                               4     -0.01393511  5      0.00202831
                               6     -0.00003105
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75083975

     eff. pot. contribution     : -10304.95124818
     total double counting contribution                 :  -5343.50097663

   Total contribution of atom 16 =-13580.41456705
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75776310 p = -1151.21441084
                                d =  -209.69713642
       valence  contribution :  s =    -0.61833513 p =    -0.23403405
                                d =    -0.01353802 f =    -0.00351410
                                ns      0.00026123
     single particle energies  spin  up    
         core   contribution :  s = -2756.05926410 p = -1151.89281660
                                d =  -210.44887120
       valence  contribution :  s =    -0.67010279 p =    -0.28625374
                                d =    -0.01428548 f =    -0.00366797
                                ns      0.00037446
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.91335783
                                   band energy per atom :   -1.8430955809

     coulomb  contribution :   0   5301.20921588  1      0.00032251
                               2     -0.00111422  3     -0.00366481
                               4     -0.00454061  5      0.00039374
                               6     -0.00001023
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.20060225

     ex.-cor. contribution :   0   -339.73355130  1      0.01200341
                               2     -0.00370374  3     -0.01365462
                               4     -0.01394638  5      0.00202816
                               6     -0.00003100
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75085546

     eff. pot. contribution     : -10304.95121129
     total double counting contribution                 :  -5343.50146450

   Total contribution of atom 17 =-13580.41482233
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75776310 p = -1151.21441084
                                d =  -209.69713642
       valence  contribution :  s =    -0.61833513 p =    -0.23403405
                                d =    -0.01353802 f =    -0.00351410
                                ns      0.00026123
     single particle energies  spin  up    
         core   contribution :  s = -2756.05926411 p = -1151.89281660
                                d =  -210.44887120
       valence  contribution :  s =    -0.67010279 p =    -0.28625374
                                d =    -0.01428548 f =    -0.00366797
                                ns      0.00037446
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.91335784
                                   band energy per atom :   -1.8430955820

     coulomb  contribution :   0   5301.20921603  1      0.00032251
                               2     -0.00111422  3     -0.00366481
                               4     -0.00454061  5      0.00039374
                               6     -0.00001023
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.20060240

     ex.-cor. contribution :   0   -339.73355129  1      0.01200341
                               2     -0.00370375  3     -0.01365793
                               4     -0.01394459  5      0.00202816
                               6     -0.00003100
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75085700

     eff. pot. contribution     : -10304.95121143
     total double counting contribution                 :  -5343.50146602

   Total contribution of atom 18 =-13580.41482387
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75778568 p = -1151.21446165
                                d =  -209.69719272
       valence  contribution :  s =    -0.61834393 p =    -0.23401355
                                d =    -0.01353827 f =    -0.00351437
                                ns      0.00026274
     single particle energies  spin  up    
         core   contribution :  s = -2756.05928669 p = -1151.89286742
                                d =  -210.44892753
       valence  contribution :  s =    -0.67011268 p =    -0.28623076
                                d =    -0.01428558 f =    -0.00366824
                                ns      0.00037590
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.91359044
                                   band energy per atom :   -1.8430687473

     coulomb  contribution :   0   5301.20973006  1      0.00033029
                               2     -0.00112557  3     -0.00366406
                               4     -0.00454321  5      0.00039431
                               6     -0.00001029
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.20111153

     ex.-cor. contribution :   0   -339.73353053  1      0.01200454
                               2     -0.00371173  3     -0.01366147
                               4     -0.01393920  5      0.00202831
                               6     -0.00003105
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75084112

     eff. pot. contribution     : -10304.95124839
     total double counting contribution                 :  -5343.50097798

   Total contribution of atom 19 =-13580.41456841
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75778311 p = -1151.21445583
                                d =  -209.69718622
       valence  contribution :  s =    -0.61833708 p =    -0.23404729
                                d =    -0.01353704 f =    -0.00351384
                                ns      0.00026277
     single particle energies  spin  up    
         core   contribution :  s = -2756.05928413 p = -1151.89286163
                                d =  -210.44892108
       valence  contribution :  s =    -0.67010527 p =    -0.28626451
                                d =    -0.01428434 f =    -0.00366767
                                ns      0.00037561
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.91361065
                                   band energy per atom :   -1.8431186492

     coulomb  contribution :   0   5301.21017953  1      0.00032091
                               2     -0.00111857  3     -0.00366236
                               4     -0.00454419  5      0.00039405
                               6     -0.00001020
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.20155916

     ex.-cor. contribution :   0   -339.73357621  1      0.01200178
                               2     -0.00370418  3     -0.01364877
                               4     -0.01395225  5      0.00202856
                               6     -0.00003098
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75088204

     eff. pot. contribution     : -10304.95175996
     total double counting contribution                 :  -5343.50108285

   Total contribution of atom 20 =-13580.41469350
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75778310 p = -1151.21445583
                                d =  -209.69718622
       valence  contribution :  s =    -0.61833708 p =    -0.23404729
                                d =    -0.01353704 f =    -0.00351384
                                ns      0.00026277
     single particle energies  spin  up    
         core   contribution :  s = -2756.05928413 p = -1151.89286163
                                d =  -210.44892108
       valence  contribution :  s =    -0.67010527 p =    -0.28626451
                                d =    -0.01428434 f =    -0.00366767
                                ns      0.00037561
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.91361064
                                   band energy per atom :   -1.8431186486

     coulomb  contribution :   0   5301.21017945  1      0.00032091
                               2     -0.00111857  3     -0.00366236
                               4     -0.00454419  5      0.00039405
                               6     -0.00001020
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.20155908

     ex.-cor. contribution :   0   -339.73357621  1      0.01200178
                               2     -0.00370418  3     -0.01364950
                               4     -0.01395113  5      0.00202856
                               6     -0.00003098
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75088166

     eff. pot. contribution     : -10304.95175989
     total double counting contribution                 :  -5343.50108246

   Total contribution of atom 21 =-13580.41469311
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71246995 p = -1151.10901981
                                d =  -209.56840990
       valence  contribution :  s =    -0.60200776 p =    -0.21574323
                                d =    -0.01180466 f =    -0.00317446
                                ns     -0.00906450
     single particle energies  spin  up    
         core   contribution :  s = -2756.01397693 p = -1151.78746138
                                d =  -210.32076387
       valence  contribution :  s =    -0.65584024 p =    -0.27023721
                                d =    -0.01253720 f =    -0.00334030
                                ns     -0.00940312
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.30525453
                                   band energy per atom :   -1.7931526851

     coulomb  contribution :   0   5313.36294644  1     -0.00037449
                               2     -0.00234258  3     -0.00001525
                               4     -0.00599454  5     -0.00000142
                               6      0.00000505
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.35422320

     ex.-cor. contribution :   0   -339.77275420  1     -0.00004302
                               2     -0.00929319  3     -0.00050846
                               4     -0.03704383  5     -0.00000029
                               6      0.00016012
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81948287

     eff. pot. contribution     : -10317.79086686
     total double counting contribution                 :  -5344.25612653

   Total contribution of atom 22 =-13580.56138106
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71246655 p = -1151.10901233
                                d =  -209.56840192
       valence  contribution :  s =    -0.60200685 p =    -0.21574222
                                d =    -0.01180442 f =    -0.00317418
                                ns     -0.00906507
     single particle energies  spin  up    
         core   contribution :  s = -2756.01397354 p = -1151.78745388
                                d =  -210.32075585
       valence  contribution :  s =    -0.65583943 p =    -0.27023502
                                d =    -0.01253729 f =    -0.00334017
                                ns     -0.00940346
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.30521218
                                   band energy per atom :   -1.7931481183

     coulomb  contribution :   0   5313.36456920  1     -0.00037465
                               2     -0.00232854  3     -0.00001544
                               4     -0.00599439  5     -0.00000143
                               6      0.00000504
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.35585978

     ex.-cor. contribution :   0   -339.77279587  1     -0.00004306
                               2     -0.00929331  3     -0.00048668
                               4     -0.03705504  5     -0.00000029
                               6      0.00016014
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81951411

     eff. pot. contribution     : -10317.79255299
     total double counting contribution                 :  -5344.25620731

   Total contribution of atom 23 =-13580.56141950
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71246657 p = -1151.10901233
                                d =  -209.56840192
       valence  contribution :  s =    -0.60200685 p =    -0.21574222
                                d =    -0.01180442 f =    -0.00317418
                                ns     -0.00906507
     single particle energies  spin  up    
         core   contribution :  s = -2756.01397352 p = -1151.78745388
                                d =  -210.32075585
       valence  contribution :  s =    -0.65583943 p =    -0.27023502
                                d =    -0.01253729 f =    -0.00334017
                                ns     -0.00940346
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.30521218
                                   band energy per atom :   -1.7931481184

     coulomb  contribution :   0   5313.36456933  1     -0.00037465
                               2     -0.00232854  3     -0.00001544
                               4     -0.00599439  5     -0.00000143
                               6      0.00000504
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.35585991

     ex.-cor. contribution :   0   -339.77279587  1     -0.00004306
                               2     -0.00929392  3     -0.00048069
                               4     -0.03706610  5     -0.00000029
                               6      0.00016014
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81951978

     eff. pot. contribution     : -10317.79255312
     total double counting contribution                 :  -5344.25621299

   Total contribution of atom 24 =-13580.56142517
                                   sum of band energies :  -32.1053101339
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.65502929
                                eV  : -3231100.69039747
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:48:41:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            5
25.03.2020 19:48:41:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:52:14:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   5.986367237051295E-011  3.725069525257220E-007
  0.170763852203669     
 magnetic moment2 is   5.986407829453578E-011  3.725069548584691E-007
 -0.112052078971646     
 magnetic moment is   7.314014801793056E-011  5.419423988774989E-004
  3.190079178700012E-002
 magnetic moment2 is   7.314014801793056E-011  5.419423988774989E-004
 -8.876740488788976E-003
 magnetic moment is   4.709210939741994E-004 -2.705130378652651E-004
  3.190356055998445E-002
 magnetic moment2 is   4.709210939741994E-004 -2.705130378652651E-004
 -8.875819473170121E-003
 magnetic moment is  -4.709210301764582E-004 -2.705130822819795E-004
  3.190356106791725E-002
 magnetic moment2 is  -4.709210301764582E-004 -2.705130822819795E-004
 -8.875819095852916E-003
 magnetic moment is  -1.670580579253567E-011 -5.849538895019708E-004
  3.305959102319705E-002
 magnetic moment2 is  -1.670580579253567E-011 -5.849538895019708E-004
 -1.165550883408265E-002
 magnetic moment is  -5.070552634768486E-004  2.923469033833264E-004
  3.304340049589316E-002
 magnetic moment2 is  -5.070552634768486E-004  2.923469033833264E-004
 -1.167061384957496E-002
 magnetic moment is   5.070553231228199E-004  2.923469356839051E-004
  3.304340146681106E-002
 magnetic moment2 is   5.070553231228199E-004  2.923469356839051E-004
 -1.167061295140100E-002
 magnetic moment is  -1.156062352086344E-011 -2.877274362216101E-007
  3.332163533176047E-002
 magnetic moment2 is  -1.156062352086344E-011 -2.877274362216101E-007
 -1.169092046053868E-002
 magnetic moment is  -1.908244788855103E-010 -8.721577233186975E-004
  0.115225583261413     
 magnetic moment2 is  -1.908335650960269E-010 -8.739806762294646E-004
 -6.688604553086050E-002
 magnetic moment is  -7.574675336645340E-004  4.361920631219678E-004
  0.115208139373256     
 magnetic moment2 is  -7.590465480507074E-004  4.371031029121391E-004
 -6.690367381706327E-002
 magnetic moment is   7.574675319090412E-004  4.361921169358565E-004
  0.115208142236063     
 magnetic moment2 is   7.590465463758921E-004  4.371031566789610E-004
 -6.690367102874800E-002
 magnetic moment is   1.681705360371805E-011  4.093686603018494E-009
  3.750660018857688E-002
 magnetic moment2 is   1.681705360371805E-011  4.093686603018494E-009
 -5.434770101392317E-003
 magnetic moment is   6.878280139465537E-011  2.379295799730982E-004
  0.184993644837029     
 magnetic moment2 is   6.878199745874447E-011  2.381530077801778E-004
  1.391118483168488E-002
 magnetic moment is   2.061625519809122E-004 -1.194607830744658E-004
  0.184983039045143     
 magnetic moment2 is   2.063586061831955E-004 -1.195764621825409E-004
  1.390082891836625E-002
 magnetic moment is  -2.061625151132979E-004 -1.194608278150583E-004
  0.184983039554885     
 magnetic moment2 is  -2.063585693487627E-004 -1.195765069228503E-004
  1.390082942885523E-002
 magnetic moment is  -5.398842815236592E-004  6.666118242860360E-004
  0.163793117027582     
 magnetic moment2 is  -5.398449311055232E-004  6.665299483894602E-004
 -6.683258788646007E-003
 magnetic moment is   3.081494938541709E-004 -8.003757498941375E-004
  0.163779083402638     
 magnetic moment2 is   3.080993154171145E-004 -8.002999932504422E-004
 -6.697605567306891E-003
 magnetic moment is  -3.081494272651228E-004 -8.003755923524166E-004
  0.163779084530993     
 magnetic moment2 is  -3.080992488356831E-004 -8.002998357121714E-004
 -6.697604436938148E-003
 magnetic moment is   5.398843634947771E-004  6.666117373308245E-004
  0.163793116225932     
 magnetic moment2 is   5.398450130650462E-004  6.665298614414927E-004
 -6.683259571370406E-003
 magnetic moment is   8.453585458786743E-004  1.337764362572214E-004
  0.163816246210029     
 magnetic moment2 is   8.452662145727646E-004  1.337797652609897E-004
 -6.660389399410077E-003
 magnetic moment is  -8.453584259198961E-004  1.337763581846164E-004
  0.163816248084155     
 magnetic moment2 is  -8.452660946200201E-004  1.337796871867259E-004
 -6.660387542210863E-003
 magnetic moment is  -1.615392883477437E-011 -4.756172629728445E-004
  0.171487941897031     
 magnetic moment2 is  -1.618871275097314E-011 -4.756104686862021E-004
 -1.123441267302433E-002
 magnetic moment is  -4.091459018869260E-004  2.374729792752507E-004
  0.171452282954336     
 magnetic moment2 is  -4.091424401258507E-004  2.374709829382939E-004
 -1.127011537270559E-002
 magnetic moment is   4.091459831856528E-004  2.374729946028987E-004
  0.171452284140326     
 magnetic moment2 is   4.091425214242523E-004  2.374709982662306E-004
 -1.127011417940640E-002
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.43456754  0.45632719    0.0218
          p =  0.12407722  0.15043117    0.0264
          d =  4.28827818  4.41136257    0.1231
          f =  0.00942367  0.01022561    0.0008
          ns  -0.01737678 -0.01861286   -0.0012
          ------------------------------------
          TOT  4.83896983  5.00973368    0.1708
                           9.84870351
   ========================== 
      2   s =  0.24125430  0.25589381    0.0146
          p =  0.31581719  0.32986103    0.0140
          d =  0.16787617  0.17591324    0.0080
          f =  0.06424504  0.06861676    0.0044
          ns  -0.12404438 -0.13323573   -0.0092
          ------------------------------------
          TOT  0.66514832  0.69704911    0.0319
                           1.36219743
   ========================== 
      3   s =  0.24116748  0.25582010    0.0147
          p =  0.31560602  0.32965321    0.0140
          d =  0.16774595  0.17577150    0.0080
          f =  0.06419861  0.06856181    0.0044
          ns  -0.12386808 -0.13305308   -0.0092
          ------------------------------------
          TOT  0.66484998  0.69675354    0.0319
                           1.36160352
   ========================== 
      4   s =  0.24116748  0.25582010    0.0147
          p =  0.31560601  0.32965321    0.0140
          d =  0.16774595  0.17577150    0.0080
          f =  0.06419861  0.06856181    0.0044
          ns  -0.12386808 -0.13305308   -0.0092
          ------------------------------------
          TOT  0.66484998  0.69675354    0.0319
                           1.36160352
   ========================== 
      5   s =  0.15923304  0.17270259    0.0135
          p =  0.20957878  0.22221310    0.0126
          d =  0.10780760  0.11423918    0.0064
          f =  0.03745638  0.04013610    0.0027
          ns  -0.02456147 -0.02671705   -0.0022
          ------------------------------------
          TOT  0.48951433  0.52257392    0.0331
                           1.01208824
   ========================== 
      6   s =  0.15919185  0.17265499    0.0135
          p =  0.20957715  0.22220254    0.0126
          d =  0.10783476  0.11426403    0.0064
          f =  0.03746379  0.04014410    0.0027
          ns  -0.02456187 -0.02671658   -0.0022
          ------------------------------------
          TOT  0.48950567  0.52254907    0.0330
                           1.01205475
   ========================== 
      7   s =  0.15919185  0.17265499    0.0135
          p =  0.20957715  0.22220254    0.0126
          d =  0.10783476  0.11426403    0.0064
          f =  0.03746379  0.04014410    0.0027
          ns  -0.02456187 -0.02671658   -0.0022
          ------------------------------------
          TOT  0.48950567  0.52254907    0.0330
                           1.01205475
   ========================== 
      8   s =  0.20976456  0.22297655    0.0132
          p =  0.28072852  0.29371369    0.0130
          d =  0.14237095  0.15095194    0.0086
          f =  0.04051459  0.04510548    0.0046
          ns  -0.04375794 -0.04980534   -0.0060
          ------------------------------------
          TOT  0.62962069  0.66294232    0.0333
                           1.29256301
   ========================== 
      9   s =  0.81978879  0.84396136    0.0242
          p =  0.76873731  0.85575213    0.0870
          d =  0.08473155  0.08802332    0.0033
          f =  0.02082998  0.02142347    0.0006
          ns   0.01072338  0.01087631    0.0002
          ------------------------------------
          TOT  1.70481101  1.82003659    0.1152
                           3.52484761
   ========================== 
     10   s =  0.81978838  0.84397236    0.0242
          p =  0.76853797  0.85551914    0.0870
          d =  0.08473308  0.08802772    0.0033
          f =  0.02083574  0.02142955    0.0006
          ns   0.01073253  0.01088707    0.0002
          ------------------------------------
          TOT  1.70462770  1.81983584    0.1152
                           3.52446354
   ========================== 
     11   s =  0.81978838  0.84397236    0.0242
          p =  0.76853797  0.85551914    0.0870
          d =  0.08473308  0.08802772    0.0033
          f =  0.02083574  0.02142955    0.0006
          ns   0.01073253  0.01088707    0.0002
          ------------------------------------
          TOT  1.70462770  1.81983584    0.1152
                           3.52446354
   ========================== 
     12   s =  0.23084698  0.24699131    0.0161
          p =  0.30514167  0.32196755    0.0168
          d =  0.15715888  0.16729808    0.0101
          f =  0.05090872  0.05575005    0.0048
          ns  -0.11198328 -0.12242742   -0.0104
          ------------------------------------
          TOT  0.63207297  0.66957957    0.0375
                           1.30165254
   ========================== 
     13   s =  0.84682655  0.85941642    0.0126
          p =  1.22797731  1.40098494    0.1730
          d =  0.04977453  0.05011154    0.0003
          f =  0.01181710  0.01184066    0.0000
          ns   0.00231430  0.00134988   -0.0010
          ------------------------------------
          TOT  2.13870979  2.32370344    0.1850
                           4.46241323
   ========================== 
     14   s =  0.84681669  0.85941034    0.0126
          p =  1.22794780  1.40094077    0.1730
          d =  0.04977537  0.05011264    0.0003
          f =  0.01181833  0.01184143    0.0000
          ns   0.00232142  0.00135747   -0.0010
          ------------------------------------
          TOT  2.13867962  2.32366265    0.1850
                           4.46234227
   ========================== 
     15   s =  0.84681669  0.85941034    0.0126
          p =  1.22794780  1.40094077    0.1730
          d =  0.04977537  0.05011264    0.0003
          f =  0.01181833  0.01184143    0.0000
          ns   0.00232142  0.00135747   -0.0010
          ------------------------------------
          TOT  2.13867962  2.32366266    0.1850
                           4.46234227
   ========================== 
     16   s =  0.84726279  0.86030736    0.0130
          p =  1.26751438  1.41772339    0.1502
          d =  0.04939334  0.05050367    0.0011
          f =  0.01161620  0.01192396    0.0003
          ns   0.00368137  0.00280283   -0.0009
          ------------------------------------
          TOT  2.17946808  2.34326120    0.1638
                           4.52272928
   ========================== 
     17   s =  0.84724348  0.86028912    0.0130
          p =  1.26755992  1.41775218    0.1502
          d =  0.04939383  0.05050541    0.0011
          f =  0.01161372  0.01192205    0.0003
          ns   0.00368635  0.00280762   -0.0009
          ------------------------------------
          TOT  2.17949730  2.34327638    0.1638
                           4.52277368
   ========================== 
     18   s =  0.84724348  0.86028912    0.0130
          p =  1.26755992  1.41775219    0.1502
          d =  0.04939383  0.05050541    0.0011
          f =  0.01161372  0.01192205    0.0003
          ns   0.00368635  0.00280762   -0.0009
          ------------------------------------
          TOT  2.17949730  2.34327638    0.1638
                           4.52277368
   ========================== 
     19   s =  0.84726279  0.86030736    0.0130
          p =  1.26751438  1.41772339    0.1502
          d =  0.04939334  0.05050367    0.0011
          f =  0.01161620  0.01192396    0.0003
          ns   0.00368137  0.00280283   -0.0009
          ------------------------------------
          TOT  2.17946808  2.34326120    0.1638
                           4.52272928
   ========================== 
     20   s =  0.84724120  0.86028965    0.0130
          p =  1.26756345  1.41779050    0.1502
          d =  0.04939802  0.05050956    0.0011
          f =  0.01161588  0.01192332    0.0003
          ns   0.00368439  0.00280617   -0.0009
          ------------------------------------
          TOT  2.17950295  2.34331919    0.1638
                           4.52282214
   ========================== 
     21   s =  0.84724120  0.86028965    0.0130
          p =  1.26756345  1.41779050    0.1502
          d =  0.04939802  0.05050956    0.0011
          f =  0.01161588  0.01192332    0.0003
          ns   0.00368439  0.00280617   -0.0009
          ------------------------------------
          TOT  2.17950294  2.34331919    0.1638
                           4.52282214
   ========================== 
     22   s =  0.83825873  0.85308348    0.0148
          p =  1.30410681  1.46056299    0.1565
          d =  0.04741070  0.04871030    0.0013
          f =  0.01205476  0.01220070    0.0001
          ns   0.02290055  0.02166201   -0.0012
          ------------------------------------
          TOT  2.22473154  2.39621948    0.1715
                           4.62095102
   ========================== 
     23   s =  0.83826365  0.85308753    0.0148
          p =  1.30414065  1.46056165    0.1564
          d =  0.04741230  0.04871140    0.0013
          f =  0.01205413  0.01220135    0.0001
          ns   0.02290168  0.02166275   -0.0012
          ------------------------------------
          TOT  2.22477240  2.39622468    0.1715
                           4.62099708
   ========================== 
     24   s =  0.83826365  0.85308753    0.0148
          p =  1.30414065  1.46056166    0.1564
          d =  0.04741230  0.04871140    0.0013
          f =  0.01205413  0.01220135    0.0001
          ns   0.02290168  0.02166275   -0.0012
          ------------------------------------
          TOT  2.22477240  2.39622468    0.1715
                           4.62099708
 
############################################
 
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   77.848701
       spin moment in wigner seitz cell =    0.170764
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     0.848701
                              spin magnetic moment =     0.170764
 
  Atom    2 charge in wigner seitz cell =    1.362195
       spin moment in wigner seitz cell =    0.031901
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.362195
                              spin magnetic moment =     0.031901
 
  Atom    3 charge in wigner seitz cell =    1.361601
       spin moment in wigner seitz cell =    0.031903
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.361601
                              spin magnetic moment =     0.031903
 
  Atom    4 charge in wigner seitz cell =    1.361601
       spin moment in wigner seitz cell =    0.031903
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.361601
                              spin magnetic moment =     0.031903
 
  Atom    5 charge in wigner seitz cell =    1.012087
       spin moment in wigner seitz cell =    0.033060
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.012087
                              spin magnetic moment =     0.033060
 
  Atom    6 charge in wigner seitz cell =    1.012054
       spin moment in wigner seitz cell =    0.033043
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.012054
                              spin magnetic moment =     0.033043
 
  Atom    7 charge in wigner seitz cell =    1.012054
       spin moment in wigner seitz cell =    0.033043
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.012054
                              spin magnetic moment =     0.033043
 
  Atom    8 charge in wigner seitz cell =    1.292559
       spin moment in wigner seitz cell =    0.033322
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.292559
                              spin magnetic moment =     0.033322
 
  Atom    9 charge in wigner seitz cell =   49.524845
       spin moment in wigner seitz cell =    0.115226
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.475155
                              spin magnetic moment =     0.115226
 
  Atom   10 charge in wigner seitz cell =   49.524461
       spin moment in wigner seitz cell =    0.115208
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.475539
                              spin magnetic moment =     0.115208
 
  Atom   11 charge in wigner seitz cell =   49.524461
       spin moment in wigner seitz cell =    0.115208
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.475539
                              spin magnetic moment =     0.115208
 
  Atom   12 charge in wigner seitz cell =    1.301650
       spin moment in wigner seitz cell =    0.037507
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =     1.301650
                              spin magnetic moment =     0.037507
 
  Atom   13 charge in wigner seitz cell =   50.462411
       spin moment in wigner seitz cell =    0.184994
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.537589
                              spin magnetic moment =     0.184994
 
  Atom   14 charge in wigner seitz cell =   50.462340
       spin moment in wigner seitz cell =    0.184983
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.537660
                              spin magnetic moment =     0.184983
 
  Atom   15 charge in wigner seitz cell =   50.462340
       spin moment in wigner seitz cell =    0.184983
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.537660
                              spin magnetic moment =     0.184983
 
  Atom   16 charge in wigner seitz cell =   50.522727
       spin moment in wigner seitz cell =    0.163793
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.477273
                              spin magnetic moment =     0.163793
 
  Atom   17 charge in wigner seitz cell =   50.522771
       spin moment in wigner seitz cell =    0.163779
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.477229
                              spin magnetic moment =     0.163779
 
  Atom   18 charge in wigner seitz cell =   50.522771
       spin moment in wigner seitz cell =    0.163779
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.477229
                              spin magnetic moment =     0.163779
 
  Atom   19 charge in wigner seitz cell =   50.522727
       spin moment in wigner seitz cell =    0.163793
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.477273
                              spin magnetic moment =     0.163793
 
  Atom   20 charge in wigner seitz cell =   50.522820
       spin moment in wigner seitz cell =    0.163816
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.477180
                              spin magnetic moment =     0.163816
 
  Atom   21 charge in wigner seitz cell =   50.522820
       spin moment in wigner seitz cell =    0.163816
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.477180
                              spin magnetic moment =     0.163816
 
  Atom   22 charge in wigner seitz cell =   50.620949
       spin moment in wigner seitz cell =    0.171488
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.379051
                              spin magnetic moment =     0.171488
 
  Atom   23 charge in wigner seitz cell =   50.620995
       spin moment in wigner seitz cell =    0.171452
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.379005
                              spin magnetic moment =     0.171452
 
  Atom   24 charge in wigner seitz cell =   50.620995
       spin moment in wigner seitz cell =    0.171452
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   5 charge neutrality in unit cell =    -1.379005
                              spin magnetic moment =     0.171452
 
                    TOTAL mag. moment in unit cell =     2.834217
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:52:15:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:15:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  9.1854D-01  ,  v+ - v- =  2.3602D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  5.5173D-02  ,  v+ - v- =  1.0443D-03
      rms-error for atom  2 :v+ + v- =  1.0391D-01  ,  v+ - v- =  2.3571D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.4220D-01  ,  v+ - v- =  8.7419D-04
      rms-error for atom  3 :v+ + v- =  1.0363D-01  ,  v+ - v- =  2.3570D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.4248D-01  ,  v+ - v- =  8.7670D-04
      rms-error for atom  4 :v+ + v- =  1.0363D-01  ,  v+ - v- =  2.3570D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.4248D-01  ,  v+ - v- =  8.7670D-04
      rms-error for atom  5 :v+ + v- =  5.8456D-02  ,  v+ - v- =  2.7807D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.2083D-01  ,  v+ - v- =  5.3200D-04
      rms-error for atom  6 :v+ + v- =  5.8615D-02  ,  v+ - v- =  2.7808D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.2100D-01  ,  v+ - v- =  5.3190D-04
      rms-error for atom  7 :v+ + v- =  5.8615D-02  ,  v+ - v- =  2.7808D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.2100D-01  ,  v+ - v- =  5.3190D-04
      rms-error for atom  8 :v+ + v- =  4.8582D-02  ,  v+ - v- =  2.5790D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.2684D-01  ,  v+ - v- =  9.8974D-04
      rms-error for atom  9 :v+ + v- =  2.2344D-02  ,  v+ - v- =  2.7509D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.0937D-01  ,  v+ - v- =  6.9664D-04
      rms-error for atom 10 :v+ + v- =  2.2311D-02  ,  v+ - v- =  2.7510D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.0946D-01  ,  v+ - v- =  6.9633D-04
      rms-error for atom 11 :v+ + v- =  2.2311D-02  ,  v+ - v- =  2.7510D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.0946D-01  ,  v+ - v- =  6.9633D-04
      rms-error for atom 12 :v+ + v- =  1.4138D-02  ,  v+ - v- =  2.3255D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  8.3643D-02  ,  v+ - v- =  9.4674D-04
      rms-error for atom 13 :v+ + v- =  5.3729D-02  ,  v+ - v- =  2.2339D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  4.8833D-02  ,  v+ - v- =  7.1705D-04
      rms-error for atom 14 :v+ + v- =  5.3857D-02  ,  v+ - v- =  2.2339D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  4.8995D-02  ,  v+ - v- =  7.1723D-04
      rms-error for atom 15 :v+ + v- =  5.3857D-02  ,  v+ - v- =  2.2339D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  4.8995D-02  ,  v+ - v- =  7.1723D-04
      rms-error for atom 16 :v+ + v- =  6.6487D-02  ,  v+ - v- =  2.2638D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.6138D-02  ,  v+ - v- =  7.4703D-04
      rms-error for atom 17 :v+ + v- =  6.6337D-02  ,  v+ - v- =  2.2638D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.6263D-02  ,  v+ - v- =  7.4371D-04
      rms-error for atom 18 :v+ + v- =  6.6337D-02  ,  v+ - v- =  2.2638D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.6263D-02  ,  v+ - v- =  7.4371D-04
      rms-error for atom 19 :v+ + v- =  6.6487D-02  ,  v+ - v- =  2.2638D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.6138D-02  ,  v+ - v- =  7.4703D-04
      rms-error for atom 20 :v+ + v- =  6.6463D-02  ,  v+ - v- =  2.2638D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.6174D-02  ,  v+ - v- =  7.4957D-04
      rms-error for atom 21 :v+ + v- =  6.6463D-02  ,  v+ - v- =  2.2638D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.6174D-02  ,  v+ - v- =  7.4957D-04
      rms-error for atom 22 :v+ + v- =  7.3987D-02  ,  v+ - v- =  2.4647D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.4166D-02  ,  v+ - v- =  5.4074D-04
      rms-error for atom 23 :v+ + v- =  7.3954D-02  ,  v+ - v- =  2.4647D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.4403D-02  ,  v+ - v- =  5.4045D-04
      rms-error for atom 24 :v+ + v- =  7.3954D-02  ,  v+ - v- =  2.4647D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.4403D-02  ,  v+ - v- =  5.4045D-04
      ITERATION   5 average rms-error : v+ + v- =  2.1619D-01
                                        v+ - v- =  2.4518D-02
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.191373301718844E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  5.960720704580294E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.467245044433423E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.553902250831128E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.699455789481700E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.263467956949636E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  9.255060007530010E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  3.657621018787032E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  1.030808517711433E-010
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.749604734314302E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.004506378729642E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.815237805786245E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  8.365141978809263E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.127679281677885E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  2.043660589653836E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  3.281959743600442E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  7.064782313659558E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  2.274571302536396E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.388393001980337E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.598829762841674E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.437383372713937E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  6.605536609239532E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.494727594238604E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  9.405783377374440E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.878937266284033E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.421371844320582E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.354573546157429E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.180603532841388E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  6.646909141233655E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  9.326880689701218E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  3.717700422096463E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  8.794358561487906E-007
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  9.170855767616981E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  6.823606878121992E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.249630081464671E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  8.306949614580136E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.049855341449687E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  4.217002847200555E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  6.758380154966136E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.152445225421205E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  1.030881284826640E-010
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.061859647370708E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  6.651463111760560E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.145643729075382E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.224612229903896E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.037737216417201E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.647231763316443E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.430352888002429E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.740327268725561E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  1.815300382596941E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.248399571768178E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  8.324791779234292E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.046722014603230E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.063100867634677E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  2.236948058941955E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.318367009105252E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.635221657989956E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.177308383353688E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  1.291984851221274E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.440688869460234E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.856869856239728E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  2.401632978012762E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  1.808503738879464E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.512001266429725E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  2.619444110355487E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  3.216459480019559E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  2.211077876582158E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  9.083689189633606E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  1.573585736762674E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  1.841138288757071E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  2.079497541980939E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  3.863354305612526E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  1.118918683381151E-003
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  1.119869962264346E-003
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  1.498582799715703E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  6.458777711875683E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  1.648227551476661E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  1.313131859532188E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  1.937374160252337E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  2.401632813392478E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  1.808147530980073E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.512001228598034E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  2.619444167686847E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  3.210488493412843E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  2.211077812853209E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  9.083688889618719E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  1.573585706267405E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  1.841138222572076E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  2.079414323291904E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  3.862240801728197E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  1.118918673423231E-003
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  1.119869937523584E-003
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  1.498582746480383E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  6.458777556387892E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  1.647859677696201E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  1.313131813128473E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  1.937374225871937E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  4.409934595330952E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  5.051107476019064E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.358868311924445E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  2.517395096354582E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.542933068908155E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  2.504501436741183E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  4.164005224392539E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.567783261767957E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.272987965883746E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.092513120744101E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  2.265118397681527E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.426196281101735E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  1.572115103252590E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.784973044928134E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  2.081213546649068E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  4.469491945139558E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  2.052174145943251E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  3.336810691813845E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  6.516710613314593E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  6.411556509243186E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  3.387389092329726E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  3.744284441050797E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.039554443033503E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.277568133567917E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  9.409787323315298E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  6.394112530191425E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  4.735318857212325E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  2.362764263350997E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.655626525255146E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  1.921721639478926E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.922571101938131E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  2.517309815061250E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  1.078747088790001E-003
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  2.505675982305725E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  1.930681598865189E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  3.938438669126977E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  1.801266536549592E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.360232904558341E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  1.132147129613501E-003
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  1.960394569680001E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  7.853015187575625E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  2.394038537513710E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  1.039967409524887E-003
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.307196924746199E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  2.052580797635483E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  6.517827976836803E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.151818192826469E-003
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  9.054374066793291E-007
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  4.633514028307347E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.475988635865000E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.664203744218271E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  2.044828681410899E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  3.194651106657991E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  5.544970483388480E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  1.181102136561575E-003
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.116682020296869E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  9.606592759771927E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  2.556595305863620E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  2.517309737677970E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  1.078747060752953E-003
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  2.505675907730882E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  1.930681550492950E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  3.938365252689542E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  1.801266630608380E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.360232926747162E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  1.132147105384359E-003
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  1.960394687593197E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  7.853015192864439E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  2.394745113016352E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  1.039967398997802E-003
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.307196887718780E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  2.052580748187213E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  6.517827738454113E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.151818156863114E-003
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  9.054230433865135E-007
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  4.634845850857073E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.475988613854636E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.664203970829621E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  2.044828714722609E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  3.194650860497313E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  5.544971895156154E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  1.181102120423432E-003
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.116462664787445E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  9.606592491638553E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  2.556595547056200E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.603446077038083E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.313998371848614E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.624676948239624E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  4.822115785296990E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  9.109465262497807E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  2.751311907471987E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.037778106004727E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  3.849512210990261E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.267434771940323E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  2.447915810000046E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.216142809833983E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.556187897752846E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.796563521614689E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  5.842626358648088E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.924895699616635E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.031591076683747E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.769455502716561E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  7.045171481094363E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.415389281150672E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.986721091451795E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  4.115225683085384E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.034645823566266E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.693383567342218E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  9.307258556311966E-007
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.316561439637369E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  2.591541305438625E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.982303542483848E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.166949133503400E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  7.213431441736949E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.010361723754903E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.914176733811678E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  4.597921764491227E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.514607339921848E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.176749774612841E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.453742581443280E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  1.664120114039834E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.277883147722215E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  2.405286050098428E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.896726764242299E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  3.924967177050232E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  1.133020078382928E-010
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  1.782866218919971E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.078757277376890E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  4.717326990596637E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.749472566588675E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.585121007033696E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  1.525789001935323E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  4.844989982786804E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.346814995915376E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  6.348092082992313E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.227020599940857E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  1.357851905158249E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  1.107712082672205E-010
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  3.339530000086030E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  3.684320101834858E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  1.412445085348686E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  7.583892894168728E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  3.579461483243187E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.262267692980422E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  6.028549450400411E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.297797272399127E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  5.220921818481470E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  2.020639673324807E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.401267963728696E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  1.482115399208776E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.636357691541668E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  9.215096452406898E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  1.931188513162559E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  8.920858848833231E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  1.542698399157359E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  4.932509441371723E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  1.062841518594540E-003
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  1.165231030263869E-003
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  7.623357275805735E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  1.321253961446293E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  6.729127839896980E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.060400284205517E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  6.128082506553572E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  6.767236137506132E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  1.224145420565284E-003
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  1.678567373633727E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  7.051621059684266E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.154232130577544E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  1.689139948201294E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  1.176473607491953E-003
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  2.796638746889765E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  3.019515449041918E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  7.985168569060083E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  1.282836593848430E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  1.009946486534227E-003
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  1.750057012511263E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  7.411572125340952E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.000925359298107E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  4.603600750821457E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  5.215454546590838E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  8.920858181193321E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  1.542698349768545E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  4.932587463605998E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  1.062841544496114E-003
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  1.165231088603322E-003
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  7.623356948246792E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  1.321254086770305E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  6.729127565254598E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.060566927198762E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  6.128082198211962E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  6.767235969591668E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  1.224145459641696E-003
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  1.678567330869783E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  7.051621032941552E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.154258650162947E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  1.689139904531834E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  1.176473645904523E-003
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  2.797227763645858E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  3.019515560393462E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  7.985169368470717E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  1.282836509906316E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  1.009946464426485E-003
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  1.750057009096138E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  7.411572019907059E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.001656521282371E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  4.603600541728367E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  5.215453152685008E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.104542789618081E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.737399030849310E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.737082715556196E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  1.415235537112435E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.096856401054740E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  4.883318336675918E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.386005026459250E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.244847794561722E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.945179110309938E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.163830754468168E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.510668427617473E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.995792104317998E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.024773962098902E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  4.744288888087949E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.903439513362624E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.037557685311732E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.210141068232861E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.214830009822486E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.118171867201290E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.925368287292921E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.307160376094731E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  6.815143450006835E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.441114032426986E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  4.745696700284311E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.179893423941075E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.829963912900423E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.962010508301806E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.292867506899574E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  2.729091170041256E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.769319844423175E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.453907380851371E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.643868072701765E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.365596363454138E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  9.754366572595174E-007
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.051616273345020E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  5.698336983833613E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.310109205672972E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.386098879448447E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  1.895472470681265E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.430326568058827E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  1.932196013773383E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  8.987749111031165E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.199241604573375E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  1.000133106776374E-010
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.423925449360998E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.684993305660552E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  1.997121281916516E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.481939412859550E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  5.520672270239571E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  7.013362433053858E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  5.910412352170194E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.472988096766199E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.242810058639307E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  5.562639100630557E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.196712594108933E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  1.656801385565904E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.646441434728828E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.579414932112562E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.060998500602659E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.040053538824965E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  7.206115602048359E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  9.322379763272551E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.141338598348387E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  7.052994424262224E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.812473279803977E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  7.425074629654827E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.402870632723844E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  7.304134931510020E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.675062175081914E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  9.678833301864640E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.572195213461506E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.539694540899815E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  6.076561545941619E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  9.992891151337192E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  1.730509305982843E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.483586195322046E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  8.708016119940829E-007
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  3.511503701954414E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  2.962296121823096E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.368208744745781E-003
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.436083859684188E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  2.787227978421135E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  4.818305995549853E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  8.287716864684764E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  3.249083053646000E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  7.902943707640276E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  5.120540006189882E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  2.582992974116923E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  3.604805058265734E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  6.433745299923443E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  3.527208677195553E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  6.111695885771833E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  3.715482265308471E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  2.492975312633958E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.047862431793356E-003
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  6.245129121484058E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.675061775600231E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  9.678833199206699E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.572195200337640E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.538865145431353E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  6.076560190743179E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  9.992890765224284E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  1.730509565892693E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.483586175395029E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  8.706854330032849E-007
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  3.511503700138779E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  2.962296092450335E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.368208607807509E-003
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.436083923664799E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  2.787227844454651E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  4.818306272108269E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  8.287716670358653E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  3.250231779043373E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  7.902943578041254E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  5.120538317161991E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  2.581556976166850E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  3.604805011400880E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  6.433745757740724E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  3.527208660797501E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  6.111695235938043E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  3.715482192212388E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  2.491965761942471E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.047862414363586E-003
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  6.245129069330897E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  4.014754428225019E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.784606079656304E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  7.410901056829954E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  1.908529118508891E-004
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  4.800002106646692E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  3.031003560927857E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  5.658438722563015E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  8.041419061499545E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  1.733819508218206E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  3.363956006753665E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  3.653047639232266E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  1.966415687415006E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  6.176116254652592E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.041405557755865E-004
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  9.107767559762252E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  5.820487553893218E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.951798714951825E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.397417286779638E-004
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  1.739697718252469E-004
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.151991844456533E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  4.212189516536683E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  4.844695959995416E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  5.938941390350584E-004
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.148650800516531E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  2.512248316985657E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  1.810230595460586E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  4.418696956544520E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  3.347378585364168E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  2.957588890050830E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.201902899634942E-004
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  2.819714164034349E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  7.749349242378858E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  5.728062502211841E-004
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  4.529817981327563E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  1.578205430721016E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  4.057318200643891E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  2.790771479655623E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  4.234212421533659E-004
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  4.467914398228976E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  3.547878438647153E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  4.248505688421897E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  8.038076324580713E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  7.387783195941860E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  3.970730408450413E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  2.314968363305199E-004
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  3.462392484888973E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  5.835709518230393E-004
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.044367934605873E-004
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.631223046988666E-004
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  1.843726110114509E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  2.803050804683414E-004
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  3.229837818466341E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  3.106306101331910E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  1.839618472750767E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  3.060069926400178E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  4.847987383261730E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  7.225340027106721E-004
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  5.961652915512315E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  2.510156163454516E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  4.065307609287006E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  2.849344177007027E-004
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  1.063912755067145E-004
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.408842588679187E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.109451545136065E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  4.256758829978161E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  7.730181802587163E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  6.670939520109049E-004
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  2.727651812127079E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  1.578204879979164E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  4.057317987093424E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  2.790773381466550E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  4.234211014339309E-004
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  4.467914067328580E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  3.547877541271587E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  4.248505245543543E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  8.038074314730965E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  7.387780164427914E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  3.970729152703101E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  2.314968176561565E-004
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  3.462389724093440E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  5.835708991292104E-004
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.044369250826433E-004
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.631222466962775E-004
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  1.843726049171887E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  2.803048503247830E-004
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  3.229835770492672E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  3.106305704944421E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  1.839616901423263E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  3.060069678787515E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  4.847993708032812E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  7.225339372665015E-004
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  5.961650650547275E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  2.510154185615503E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  4.065307165276487E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  2.849342908349378E-004
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  1.063913351095685E-004
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.408842393994390E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.109450191589279E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  4.256758423048431E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  7.730172847367737E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  6.670938905220021E-004
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  2.727650127841458E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  4.014753886840039E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.784599700807383E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  7.410899912116040E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  1.908529988095363E-004
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  4.800001599873156E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  3.031002499197562E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  5.658438003236899E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  8.041420018532234E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  1.733821467873309E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  3.363957223186142E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  3.653047238992305E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  1.966412822224247E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  6.176115535677756E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.041404205805000E-004
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  9.107766838080281E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  5.820486966127259E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.951800563933662E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.397418829779058E-004
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  1.739697542250732E-004
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.151990725303991E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  4.212189117621149E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  4.844689384589460E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  5.938940793307852E-004
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.148649089450546E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  2.512249918125408E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  1.810230381655262E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  4.418697860824286E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  3.347377866138521E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  2.957588587713311E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.201903983109498E-004
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  2.819713937069326E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  7.749357199101456E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  5.728061951897493E-004
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  4.529816330391666E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  4.192498110822257E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  7.081506453197913E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.838830847753383E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  4.545680998064657E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  5.673572370453776E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  2.326521697419254E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  5.186880224007253E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  1.877934621373375E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  8.043008213611968E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.452982276278063E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  6.870696527891831E-004
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  2.658406272613271E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  3.160562609196445E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.454531108777691E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.043640245832941E-004
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  3.770395201855754E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  4.509670166453243E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  7.580490959852701E-004
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  4.139301615509151E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  2.606931193561510E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  2.491958418266909E-004
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  1.563708774971573E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  4.858660773348226E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  1.563632671473686E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  4.217895451021786E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  2.510608849804372E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  3.988071794074641E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  7.147007401034010E-004
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  4.064174512624465E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  8.610985144593292E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  3.065331467574387E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  1.660507074537200E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  7.739170751822664E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  1.184534125447292E-004
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.820124443073103E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  4.192497116478224E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  7.081508786149981E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.838830886516563E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  4.545686011019423E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  5.673571090258431E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  2.326521911597243E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  5.186880296817287E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  1.877934767275622E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  8.043009653449693E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.452979620387119E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  6.870695317093388E-004
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  2.658406317686342E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  3.160561497721229E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.454531167866758E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.043638955801675E-004
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  3.770395360332665E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  4.509670259955011E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  7.580488872398712E-004
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  4.139299602560725E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  2.606931166015233E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  2.491958575997263E-004
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  1.563708859935592E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  4.858654210269273E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  1.563632527544067E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  4.217893586033615E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  2.510610628289951E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  3.988071788001628E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  7.147006300213161E-004
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  4.064175209721509E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  8.610985776888637E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  3.065330171547578E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  1.660506997256289E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  7.739179189671590E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  1.184533980392927E-004
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.820125281244224E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  4.066333789233843E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.068982152638932E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.271545250689698E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  4.968899816708341E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  4.295672307951207E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  4.036158951033399E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  1.162470384594781E-003
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  3.187486159678569E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  3.144083314329915E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.877436780093117E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.252462820667210E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.159048750519796E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  8.789974387708160E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.507175687450135E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.984208552423250E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.328265957719783E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  2.513796087678314E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  1.792738641732869E-004
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  5.821864024258409E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  4.658138800771161E-004
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.778731502254241E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  5.799231639524677E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.896452515241922E-004
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  9.599621720561346E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  3.330957818374053E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  1.638933208525666E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  4.216830946772001E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  5.526520026074593E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.673972431551264E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  2.224314815365773E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.639533550179897E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.278409796594749E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  3.559890334528143E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.425702626301325E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  2.800301540273126E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.240081358301305E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  2.687012086835180E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.356361683516146E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  4.281978458797288E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  8.131817910460704E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.413718573566290E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  2.477653615591789E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  4.294147756112419E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.729184497545034E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  5.799171603622965E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  1.008690569280004E-003
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.576967093426000E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.757353471656621E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.211246480987113E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.703725667502465E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  4.417927190321941E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  7.679086792840340E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  9.857535343354320E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.237381269303290E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.273872625034887E-004
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  8.981064043336785E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  3.667292021894281E-004
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  4.654410654673437E-004
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  2.893713454381510E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  2.892095405877533E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.897565938160503E-004
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  5.028876869551110E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  1.668896767915097E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.175657154316766E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  2.109218305468116E-004
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  1.559066298148046E-004
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  3.956642561355628E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  1.114709341813450E-004
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.365783182281201E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  2.445460793404600E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  1.787055268056979E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  3.107628981086114E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  1.410761315197265E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  2.241456234619421E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.361326685654429E-004
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  1.930305649069645E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  4.281971884841070E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  8.131817858216333E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.413717384719187E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  2.477653622250116E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  4.294147593039882E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.729184637278766E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  5.799171542404376E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  1.008690540679083E-003
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.576967104634621E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.757419703024907E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.211244101931953E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.703725612164599E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  4.417927106991123E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  7.679081951032777E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  9.857535344407178E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.238560730724195E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.273872629090019E-004
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  8.981064358903615E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  3.667292110879465E-004
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  4.654410446364387E-004
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  2.893713712790321E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  2.892095365515955E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.897565878250333E-004
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  5.028876797571483E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  1.668896798939921E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.175709402722504E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  2.109218376261059E-004
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  1.559066406635001E-004
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  3.958161014149460E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  1.114709341096416E-004
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.365780013950320E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  2.445458213860930E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  1.787055227115277E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  3.107628405553863E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  1.410761307196844E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  2.229514650328278E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.361326690449628E-004
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  1.930302832870831E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.126748382944832E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  5.764830713497970E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.604745348887771E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.272914622714616E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.614687981273779E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  2.129258766542996E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  9.433521304626097E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  3.982811849776672E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.152424289987744E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  1.796489116193221E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.418443086360066E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.795245987097212E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  8.143779343514965E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.159740320126716E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  2.014480701440998E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.114997425360596E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  7.476108195704442E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  2.285774617923678E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.436440282370632E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.563960956801302E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.415272830036343E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  5.869702710475271E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.555850030980378E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  9.055567250587991E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.872412364344795E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.315838939068904E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.345897072307382E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.166765639685132E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  6.381322635942194E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  9.164132606611124E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.771303011681230E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  8.338764980726941E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  8.943064930058337E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  6.400194489973918E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.249954295726474E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  7.171531470413915E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.070831012657392E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  4.483216564847617E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  7.293047474542609E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.302327630079828E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  1.093787515763257E-010
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.088623600825876E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  6.602896212162864E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.196504517720631E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.217698535242118E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.108397149484548E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.738984952904594E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.486456718464578E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.738060425772797E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  1.828910006988503E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.478765767610282E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.553425610490934E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.649973247526491E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.068148732591230E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  2.337591284833327E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.365652488501495E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.608632604289061E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.230988775759463E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  1.295432540949359E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.455725113398190E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.984414518227218E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  2.482952759857689E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  1.765374672169272E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  1.565551616713467E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  2.712362994703710E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.295165738385503E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  2.269990623931410E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  9.150818750089476E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  1.585241207741450E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  1.859783180173979E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.014113411479737E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  3.704827325992694E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.169318971053043E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  1.122895569063425E-003
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  1.519113597845903E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  6.476901043385383E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  1.402566610064450E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  1.314692068833761E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  2.024709159781546E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  2.482952598326924E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  1.764992086501824E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  1.565551574356052E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  2.712363060953092E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.289405889188931E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  2.269990559651386E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  9.150818455680171E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  1.585241174476149E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  1.859783115701186E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.013788413066233E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  3.703673882041365E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.169318958305071E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  1.122895540213748E-003
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  1.519113545505009E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  6.476900890461789E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  1.402152758565095E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  1.314692025049964E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  2.024709230527109E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  4.556638934509207E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  5.370190364887056E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  7.670946495669154E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  2.548507636906114E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.557790411636659E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  2.599297087197696E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  4.297816059143246E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.605527324410504E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.314819917434576E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.139078718473960E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  2.284337059152623E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.465505945766361E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  1.594137938484866E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.844850010190861E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  2.110427979641631E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  4.644818167463619E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  2.057070730088743E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  3.349690514711975E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  6.607530841313995E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  6.718132644755484E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  3.389648451848892E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  3.738844849910739E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  5.985245345005292E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.337255135449927E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  1.005988648702840E-010
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  6.301616684760321E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  4.779522559941741E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  2.420313770870966E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.660629812729688E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.969758735444681E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  2.022489306605164E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  2.548264081289631E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  1.077239130914480E-003
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  2.600301446652531E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  1.946789057341041E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  4.275451389830499E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  1.826549173706191E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.379246278735919E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  1.141652510101051E-003
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  1.977004141555077E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  7.962453669671035E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  2.577443979677380E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  1.054502971061762E-003
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.308047087476828E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  2.057428343797957E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  6.608989142407800E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.160734641455931E-003
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  9.530701038346774E-007
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  4.591324712774971E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.510835870938218E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.705762581355277E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  2.094564818276835E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  3.148264805707694E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  5.464979816218171E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.209769916400823E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.207213329924293E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  9.845782290908672E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  2.617053870065153E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  2.548264005583637E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  1.077239103383855E-003
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  2.600301378081678E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  1.946789006933161E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  4.275377766614709E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  1.826549275653649E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.379246304017468E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  1.141652480599634E-003
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  1.977004272029432E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  7.962453660614030E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  2.578161938285118E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  1.054502957315770E-003
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.308047049717487E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  2.057428292444788E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  6.608988886058968E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.160734605670676E-003
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  9.530551767591919E-007
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  4.592675925956153E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.510835843657908E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.705762814338980E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  2.094564857661684E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  3.148264538959821E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  5.464981213811713E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.209769895302580E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.206997531986587E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  9.845781973325766E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  2.617054119033040E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  1.730924646289529E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.427190978068129E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.734940676200815E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  5.102522313954260E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.407786716590393E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  3.549445824452729E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.030275658196674E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  4.251865908883538E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.321681832775493E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  2.753356514428858E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.258299702410165E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.601661231541908E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.889844214960647E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  5.659010002992296E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.966166359507124E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  2.172023620826732E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.837712092235488E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  8.053605899453061E-007
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  1.528921625946374E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  9.211895256222676E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.441690434315187E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.073134786020855E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.792494399399632E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.060533932606259E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.470191226273267E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  2.806469209799464E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.339398622422185E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171004314631718E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  6.433630565718459E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.046800472769833E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.144560281842925E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  4.994690994284723E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.800697071297870E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.278245680058383E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.458115760410818E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  1.798760285422485E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.330175200061074E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  2.468645182019872E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.951235576408403E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.735696455315182E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.274668136563865E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  1.792983363407966E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.098102628019046E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  5.128569347712588E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.673672027493010E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.803697230603935E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  1.526075031992968E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  4.545105081318173E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.350423394136355E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  6.188156439263729E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.244110122040451E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  1.321884576235879E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  1.122596813043407E-010
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  3.475171151883552E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  3.678541060887653E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  1.402558440386666E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  7.768073681876129E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  3.884918147003747E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.261610656743875E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  5.810696519211168E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.114554438665903E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  4.936199625773965E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  2.006471665094733E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.459616908622708E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  1.491524260881220E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.628817278351025E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  9.081109560561576E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  1.797579639952151E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  8.970521270289278E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  1.551245726979798E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  5.279264001254895E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  1.077712133586913E-003
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  1.168224191600397E-003
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  7.624908381266863E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  1.321496986335447E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  6.746948787376428E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.209244024378795E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  6.213007415262742E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  6.586990413532610E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  1.215630846465388E-003
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  1.674288485988577E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  7.002097484434915E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.205934356372757E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  1.680876477167174E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  1.145346123807357E-003
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  3.016954938552751E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  2.910290920600075E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  7.868971629853129E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  1.290899865302749E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  1.002832781077968E-003
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  1.737780222404082E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  7.458572360513109E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  3.195911394379542E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  4.536680505807203E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  5.026391321033456E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  8.970520605256968E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  1.551245671860552E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  5.279332850527458E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  1.077712156816738E-003
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  1.168224248305405E-003
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  7.624908073957011E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  1.321497104514806E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  6.746948495065692E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.209407495134216E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  6.213007086421690E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  6.586990247605357E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  1.215630885961448E-003
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  1.674288441391647E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  7.002097462675073E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.205960111609473E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  1.680876437338572E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  1.145346159635838E-003
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  3.017552805359666E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  2.910290993416156E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  7.868972358201997E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  1.290899781548773E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  1.002832756217853E-003
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  1.737780214780755E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  7.458572229612651E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  3.196633437592867E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  4.536680304505550E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  5.026390014866433E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  6.937007942454990E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.246136810014149E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.851291170392754E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  1.449480001241863E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.163474211635810E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  4.479562403776293E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.866777259364651E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.233104365176373E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.078510151241486E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.247877829511656E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.657779078992473E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.051528807081244E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.021149210102896E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  4.477871252646056E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.906553575602753E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.028249160652323E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.226453770308876E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.236286683748192E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.105830638036753E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.053883958508754E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.721754168526041E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  6.899067938244538E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.185190797280906E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  4.561792224508330E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.231518177183602E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.829319353309409E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.587681604105955E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.292456620529319E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  2.726647305524640E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.452741099082336E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.532448722901852E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.626641724928400E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.623620705692893E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  9.609812595889283E-007
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.054152081755229E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  5.845607136647347E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.375476263580324E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.397042503215775E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.863657245211606E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.197297768413824E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  1.913708593994223E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.574320803681478E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.233318837359543E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  9.320652757189927E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.405015785458454E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.706124979723355E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  1.983095958302577E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.432215869155453E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.148698565083641E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  6.680117458619449E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  5.457408654494133E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.486998359156528E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.243029126201836E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  5.323289535675736E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.169450542669997E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  1.672136499524224E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.634541946644716E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.515130081237246E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.070227778846493E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.011824779973596E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  7.176327006142167E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  9.575832461691322E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.130607761402866E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  6.954406939824352E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.759068567123947E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  7.324418461768281E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.246878356930270E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  7.131183026092881E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.659079565028155E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  9.584528332066320E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.586329358359509E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.441948271470501E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  5.788031408438929E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  9.923448510819380E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  1.718373778800982E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.461769934345152E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  8.317299453078271E-007
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  3.344744175550777E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  2.735812361576507E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.312553116207909E-003
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  1.449408140542701E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  2.668089354154228E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  4.610973637675839E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  8.364304057769749E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  3.197276916973084E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  7.582183564327408E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  4.728339129593716E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  2.499626454790381E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  3.589941248602211E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  6.346716960269218E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  3.477876488356366E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  6.026418312787886E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  3.665495251687270E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  2.395046452373686E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  1.018803619504608E-003
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  6.219462295561871E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.659079173896421E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  9.584528205432574E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.586329343024597E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.441195146903774E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  5.788030217023253E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  9.923448129299541E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  1.718374029586136E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.461769915929517E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  8.316243303901502E-007
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  3.344744176744431E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  2.735812347805001E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.312552980358405E-003
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  1.449408205277343E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  2.668089230198678E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  4.610973926363514E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  8.364303857556342E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  3.198418577038401E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  7.582183458958436E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  4.728337514097191E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  2.498227532262088E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  3.589941202574960E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  6.346717384608515E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  3.477876473676478E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  6.026417694124988E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  3.665495179538203E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  2.394077653442419E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  1.018803603955279E-003
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  6.219462212254917E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  3.915449495626131E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  2.574679653139222E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  5.150177555850174E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.486453943448777E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  4.129732205519831E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.455789959322674E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  5.513699142184310E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  7.941676164516108E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.723293350177374E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  3.247676321216940E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  3.582696337772873E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  1.447070201461196E-004
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  5.812843345997294E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  9.450181584265527E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  8.387492106032264E-004
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  5.053465554741652E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  4.498342848234301E-004
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  1.356408588080287E-004
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  1.483982512383850E-004
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  2.866380888996196E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  3.682153961668791E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  4.591195024207660E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  5.313385635191624E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  2.331075818170068E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  2.465422740884769E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  1.636069606716220E-004
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  3.725840876056389E-004
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.868305224288885E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.679397523818530E-004
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.154748383395849E-004
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  2.548025581406833E-004
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  7.930817245606989E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  5.182275753246087E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  4.274546434425100E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.451764548983857E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.693322247621588E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  2.905645314583965E-004
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  4.428609564370491E-004
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.238065237582735E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  3.374957786245820E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  3.650192057020878E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  7.940036579139784E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  7.013838657733899E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  3.801423155176201E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  2.232586239764748E-004
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  3.171202988339622E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  5.498428733579691E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  9.469201903897757E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  4.944439237007601E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  1.465384131966868E-004
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  2.479892276157759E-004
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.847885238333952E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  2.808010011568132E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  1.613218608347956E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  2.716863149956014E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  4.593733732140074E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  6.524063095795630E-004
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  5.407138120577393E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  2.463917239093009E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  3.859198564959387E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  2.719594063641437E-004
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  1.051611097658720E-004
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  2.238791610714649E-004
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.885163311543625E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.701197557160984E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  7.914378730001766E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  5.796199576498694E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  2.495337952925654E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.451763992226775E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.693322135295252E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  2.905648844349347E-004
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  4.428608085083572E-004
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.238064904833471E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  3.374956703815916E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  3.650191626054103E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  7.940034576122313E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  7.013835676325354E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  3.801421853040997E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  2.232586088824826E-004
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  3.171200397839311E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  5.498428216590546E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  9.469214358854582E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  4.944438672118275E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  1.465384050276751E-004
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  2.479890033683694E-004
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.847883279221388E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  2.808009614811993E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  1.613217030238530E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  2.716862913829453E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  4.593736872252057E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  6.524062465089749E-004
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  5.407135861831788E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  2.463915269920155E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  3.859198125569165E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  2.719592778763701E-004
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  1.051611716133418E-004
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  2.238791420384859E-004
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.885161962154305E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.701197160198821E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  7.914369520154909E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  5.796198984288665E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  2.495336289373510E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  3.915449035149349E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  2.574684309969155E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  5.150176270914478E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.486454617142008E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  4.129731671476809E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.455788693411674E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  5.513698415132150E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  7.941676962196184E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.723294642611258E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  3.247677469764496E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  3.582695938267843E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  1.447067783723628E-004
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  5.812842621611121E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  9.450168726884068E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  8.387491403209846E-004
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  5.053464951263795E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  4.498344756654651E-004
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  1.356410074106984E-004
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  1.483982343756952E-004
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  2.866379719231350E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  3.682153555577955E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  4.591191433416548E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  5.313385051061919E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  2.331074045577464E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  2.465424282760495E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  1.636069397371251E-004
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  3.725841795597271E-004
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.868304530803696E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.679397218144840E-004
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.154749442281216E-004
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  2.548025355221608E-004
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  7.930825306800746E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  5.182275209915841E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  4.274544788208364E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  3.811691776942677E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  8.326207195046050E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.977377721633011E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.226780532672184E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  5.235755430421531E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  2.920469355270058E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  4.531135204701146E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  2.296974543739440E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  7.940110101655221E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  7.611636516517891E-004
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  6.451309942230144E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  2.126220257873329E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  3.198313606511617E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.609879392330442E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  9.472523888776939E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  3.883536260449579E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  4.316169270677761E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  6.815947567502764E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  3.623323639187701E-004
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  2.359249541454566E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  2.212934651946648E-004
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.469960155074181E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  4.590558524390647E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  1.455819430854509E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  3.464241749747733E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  2.462868576230658E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  3.723797780805627E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  6.327443822921638E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.585541405786729E-004
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  7.611465382976799E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  2.807923029939016E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  1.403793228318735E-004
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  7.917092868777626E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  9.138285780674828E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  2.672524315168814E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  3.811690587259247E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  8.326210558344963E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.977377707363759E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.226780277712870E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  5.235754091037602E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  2.920469557940201E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  4.531135434118881E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  2.296974663511204E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  7.940111486768357E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  7.611633922779590E-004
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  6.451308748410263E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  2.126220310203744E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  3.198312241298431E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.609879448694205E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  9.472511406714421E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  3.883536458720577E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  4.316169350889442E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  6.815945480051086E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  3.623321672986815E-004
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  2.359249485511452E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  2.212934940649928E-004
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.469960234472693E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  4.590554952595996E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  1.455819248833924E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  3.464239961946850E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  2.462870328691118E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  3.723797754094441E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  6.327442714753718E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.585542094887912E-004
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  7.611466038086674E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  2.807921754256329E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  1.403793142237948E-004
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  7.917101563875425E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  9.138284504192177E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  2.672525203553292E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  4.211450258386543E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.788999621790736E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.558029855644539E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  3.480405375972915E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  3.590662595772614E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  3.439054912381732E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.096313862093886E-003
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  2.860095006670523E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.998879179044469E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.816144741205944E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.260635479763395E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.287215734691440E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  8.614526455081550E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.554929084846334E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.205696122483161E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  8.008234489601475E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  2.289802070052731E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  1.595426138508138E-004
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  4.638107282743810E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  4.034197263955681E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.660097127580043E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  5.527633535499796E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  1.648129132229318E-004
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  8.929353555204016E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  2.887165864835432E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  1.275733077324266E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  3.533371165378491E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  4.804793813302903E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.583010733501751E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  1.795086262836558E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.662094279102428E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.289358470280241E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  3.558548378911422E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.419387818575847E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  2.755125171214818E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.171978251411984E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  2.582136587942537E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.330187337485190E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  3.000189734396588E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  8.043866310152393E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.398571058464541E-003
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  1.734471907200758E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  3.589742318403412E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.601722053934124E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  5.469400238166999E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  9.515572137407504E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.505751788981421E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.707890183511806E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  2.021502877008910E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.895714275580572E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  4.334213185369511E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  7.534726269579005E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.096335413124163E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.282912226284033E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  1.164102552627502E-004
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  7.994100471663417E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  3.075407410887037E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  4.031107479801571E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.509110600609041E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  2.756713183013725E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  1.648728624537230E-004
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  4.794208144682428E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.446990573292399E-004
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  2.351210838716818E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  1.767394320547682E-004
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  1.387939600057662E-004
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  3.984317771406402E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  9.006981923009887E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  2.278113981070041E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  2.408318065561378E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  1.787555309606474E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  3.108787838303944E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  1.389187012391634E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  2.209883481723326E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  1.310631406508681E-004
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  1.560393880755084E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  3.000183775872674E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  8.043866506005050E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.398569852888724E-003
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  1.734471816428193E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  3.589742160401971E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.601722240244550E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  5.469400158296093E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  9.515571852114559E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.505751845810899E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.707972543078919E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  2.021500610599964E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.895714281904909E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  4.334213144731996E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  7.534721460956623E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.096335422653715E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.284027637316933E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  1.164102576441789E-004
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  7.994100937965837E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  3.075407533012104E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  4.031107279311414E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.509110878808848E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  2.756713138034728E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  1.648728572609079E-004
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  4.794208067429605E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.446990627018765E-004
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  2.351072461416500E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  1.767394412000230E-004
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  1.387939716153853E-004
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  3.985640118843534E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  9.006981914128713E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  2.278110812266833E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  2.408315502018866E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  1.787555287273391E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  3.108787450067900E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  1.389187028297415E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  2.198265353062051E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  1.310631440630992E-004
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  1.560391157578116E-004
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6845.47148693 p = -3230.02543550
                                d =  -845.33245873 f =   -24.42356869
       valence  contribution :  s =    -0.11461329 p =    -0.02860093
                                d =    -0.85531234 f =    -0.00256774
                                ns      0.00617006
     single particle energies  spin  up    
         core   contribution :  s = -6845.93360806 p = -3231.13271156
                                d =  -846.25643959 f =   -25.07070361
       valence  contribution :  s =    -0.13675357 p =    -0.03496782
                                d =    -1.20617984 f =    -0.00305708
                                ns      0.00784575
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21896.01444946
                                   band energy per atom :   -2.3680368035

     coulomb  contribution :   0  13973.03429825  1     -0.00632129
                               2     -0.00112763  3     -0.00139380
                               4      0.00300512  5     -0.00127909
                               6     -0.00003243
     --------------------------------------------------------------------
     tot. coulomb contribution :  13973.02714912

     ex.-cor. contribution :   0   -677.32501084  1      0.01029391
                               2      0.00278862  3     -0.00568921
                               4     -0.00771790  5      0.00225288
                               6      0.00003867
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -677.32304387

     eff. pot. contribution     : -27040.74354687
     total double counting contribution                 : -13745.03944163

   Total contribution of atom  1 =-35641.05389109
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08565682 p =    -0.10036757
                                d =    -0.04613606 f =    -0.01588320
                                ns      0.04417748
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09864705 p =    -0.11554398
                                d =    -0.05498657 f =    -0.02013102
                                ns      0.05298813
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44018666
                                   band energy per atom :   -0.4401866566

     coulomb  contribution :   0      0.00781112  1      0.01058765
                               2      0.00244759  3     -0.00166666
                               4     -0.00485452  5     -0.00049271
                               6     -0.00012514
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.01370735

     ex.-cor. contribution :   0     -0.69541106  1     -0.00064189
                               2      0.05355165  3      0.01059829
                               4      0.02034717  5      0.00420781
                               6      0.00053190
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60681612

     eff. pot. contribution     :     -0.46162963
     total double counting contribution                 :     -1.05473841

   Total contribution of atom  2 =    -1.49492507
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08559297 p =    -0.10028439
                                d =    -0.04610520 f =    -0.01587110
                                ns      0.04411255
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09857622 p =    -0.11544600
                                d =    -0.05494587 f =    -0.02011477
                                ns      0.05290995
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.43991402
                                   band energy per atom :   -0.4399140232

     coulomb  contribution :   0      0.00747247  1      0.01062599
                               2      0.00248760  3     -0.00166658
                               4     -0.00484151  5     -0.00049057
                               6     -0.00012458
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.01346283

     ex.-cor. contribution :   0     -0.69491642  1     -0.00065335
                               2      0.05349406  3      0.01058591
                               4      0.02030864  5      0.00420318
                               6      0.00053018
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60644780

     eff. pot. contribution     :     -0.46147113
     total double counting contribution                 :     -1.05445611

   Total contribution of atom  3 =    -1.49437013
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08559297 p =    -0.10028439
                                d =    -0.04610520 f =    -0.01587110
                                ns      0.04411255
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09857622 p =    -0.11544600
                                d =    -0.05494587 f =    -0.02011477
                                ns      0.05290996
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.43991402
                                   band energy per atom :   -0.4399140239

     coulomb  contribution :   0      0.00747246  1      0.01062599
                               2      0.00248760  3     -0.00166658
                               4     -0.00484151  5     -0.00049057
                               6     -0.00012458
     --------------------------------------------------------------------
     tot. coulomb contribution :      0.01346281

     ex.-cor. contribution :   0     -0.69491642  1     -0.00065335
                               2      0.05349405  3      0.01058591
                               4      0.02030868  5      0.00420318
                               6      0.00053018
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60644777

     eff. pot. contribution     :     -0.46147112
     total double counting contribution                 :     -1.05445608

   Total contribution of atom  4 =    -1.49437011
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05054501 p =    -0.06163458
                                d =    -0.02877879 f =    -0.00946763
                                ns      0.00851456
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05864214 p =    -0.07012445
                                d =    -0.03312662 f =    -0.01126848
                                ns      0.00977859
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30529455
                                   band energy per atom :   -0.3052945459

     coulomb  contribution :   0     -0.00933791  1     -0.00222001
                               2     -0.00051896  3      0.00000400
                               4     -0.00305730  5      0.00029487
                               6      0.00002241
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.01481291

     ex.-cor. contribution :   0     -0.41875433  1     -0.00006913
                               2     -0.00035479  3     -0.00000933
                               4      0.01747590  5      0.00000411
                               6      0.00112636
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40058122

     eff. pot. contribution     :     -0.44817599
     total double counting contribution                 :     -0.86357011

   Total contribution of atom  5 =    -1.16886466
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05054501 p =    -0.06164702
                                d =    -0.02878626 f =    -0.00946784
                                ns      0.00851570
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05863967 p =    -0.07013655
                                d =    -0.03313509 f =    -0.01126901
                                ns      0.00977972
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30533101
                                   band energy per atom :   -0.3053310099

     coulomb  contribution :   0     -0.00922597  1     -0.00222639
                               2     -0.00052143  3      0.00000506
                               4     -0.00306255  5      0.00029594
                               6      0.00002243
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.01471291

     ex.-cor. contribution :   0     -0.41874211  1     -0.00006971
                               2     -0.00035324  3     -0.00000966
                               4      0.01747936  5      0.00000423
                               6      0.00112376
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40056738

     eff. pot. contribution     :     -0.44814912
     total double counting contribution                 :     -0.86342941

   Total contribution of atom  6 =    -1.16876042
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05054501 p =    -0.06164702
                                d =    -0.02878626 f =    -0.00946784
                                ns      0.00851570
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05863967 p =    -0.07013655
                                d =    -0.03313509 f =    -0.01126901
                                ns      0.00977972
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30533101
                                   band energy per atom :   -0.3053310103

     coulomb  contribution :   0     -0.00922598  1     -0.00222639
                               2     -0.00052143  3      0.00000506
                               4     -0.00306255  5      0.00029594
                               6      0.00002243
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.01471291

     ex.-cor. contribution :   0     -0.41874211  1     -0.00006971
                               2     -0.00035324  3     -0.00000966
                               4      0.01747940  5      0.00000423
                               6      0.00112376
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40056734

     eff. pot. contribution     :     -0.44814912
     total double counting contribution                 :     -0.86342938

   Total contribution of atom  7 =    -1.16876039
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07353747 p =    -0.08654429
                                d =    -0.03617512 f =    -0.00982177
                                ns      0.01583351
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08499794 p =    -0.09985997
                                d =    -0.04334828 f =    -0.01242244
                                ns      0.01907828
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41179549
                                   band energy per atom :   -0.4117954880

     coulomb  contribution :   0     -0.04064514  1     -0.00621967
                               2     -0.00630314  3      0.00462902
                               4     -0.00425275  5      0.00013288
                               6      0.00020187
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.05245694

     ex.-cor. contribution :   0     -0.60209778  1      0.00218352
                               2      0.00340236  3      0.00086112
                               4      0.02940931  5      0.00087881
                               6      0.00069814
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.56466451

     eff. pot. contribution     :     -0.44516979
     total double counting contribution                 :     -1.06229123

   Total contribution of atom  8 =    -1.47408672
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.55093440 p = -1089.74800389
                                d =  -190.74046200
       valence  contribution :  s =    -0.46708948 p =    -0.17484804
                                d =    -0.01637900 f =    -0.00508237
                                ns     -0.00263070
     single particle energies  spin  up    
         core   contribution :  s = -2635.92043276 p = -1090.57943589
                                d =  -191.66172159
       valence  contribution :  s =    -0.53137253 p =    -0.21767601
                                d =    -0.01958594 f =    -0.00599720
                                ns     -0.00294937
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.64460119
                                   band energy per atom :   -1.4436106523

     coulomb  contribution :   0   5100.39921185  1      0.00049951
                               2     -0.00053029  3      0.00159699
                               4     -0.00658921  5     -0.00000805
                               6      0.00005694
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.39423773

     ex.-cor. contribution :   0   -329.13612916  1      0.00000933
                               2     -0.00025705  3      0.00355776
                               4     -0.01862798  5      0.00005680
                               6      0.00037144
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15101886

     eff. pot. contribution     :  -9889.79610110
     total double counting contribution                 :  -5118.55288223

   Total contribution of atom  9 =-12954.19748342
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.55095548 p = -1089.74805001
                                d =  -190.74051034
       valence  contribution :  s =    -0.46704607 p =    -0.17480365
                                d =    -0.01638017 f =    -0.00508413
                                ns     -0.00263219
     single particle energies  spin  up    
         core   contribution :  s = -2635.92045383 p = -1090.57948197
                                d =  -191.66176986
       valence  contribution :  s =    -0.53132935 p =    -0.21761718
                                d =    -0.01958708 f =    -0.00599925
                                ns     -0.00295153
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.64465208
                                   band energy per atom :   -1.4434305920

     coulomb  contribution :   0   5100.38563092  1      0.00048493
                               2     -0.00053122  3      0.00160063
                               4     -0.00659458  5     -0.00000727
                               6      0.00005703
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.38064045

     ex.-cor. contribution :   0   -329.13575886  1      0.00000877
                               2     -0.00025924  3      0.00355619
                               4     -0.01863846  5      0.00005733
                               6      0.00037171
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15066257

     eff. pot. contribution     :  -9889.78222876
     total double counting contribution                 :  -5118.55225088

   Total contribution of atom 10 =-12954.19690296
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.55095548 p = -1089.74805001
                                d =  -190.74051034
       valence  contribution :  s =    -0.46704607 p =    -0.17480365
                                d =    -0.01638017 f =    -0.00508413
                                ns     -0.00263219
     single particle energies  spin  up    
         core   contribution :  s = -2635.92045383 p = -1090.57948197
                                d =  -191.66176986
       valence  contribution :  s =    -0.53132935 p =    -0.21761718
                                d =    -0.01958708 f =    -0.00599925
                                ns     -0.00295153
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.64465208
                                   band energy per atom :   -1.4434305923

     coulomb  contribution :   0   5100.38563095  1      0.00048493
                               2     -0.00053122  3      0.00160063
                               4     -0.00659458  5     -0.00000727
                               6      0.00005703
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.38064048

     ex.-cor. contribution :   0   -329.13575887  1      0.00000877
                               2     -0.00025924  3      0.00355661
                               4     -0.01863814  5      0.00005733
                               6      0.00037171
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15066183

     eff. pot. contribution     :  -9889.78222879
     total double counting contribution                 :  -5118.55225014

   Total contribution of atom 11 =-12954.19690222
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08667880 p =    -0.10690518
                                d =    -0.04939964 f =    -0.01481331
                                ns      0.04954974
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09815864 p =    -0.11900144
                                d =    -0.05558644 f =    -0.01729034
                                ns      0.05655342
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44173064
                                   band energy per atom :   -0.4417306433

     coulomb  contribution :   0     -0.09347941  1     -0.00517859
                               2     -0.02422019  3     -0.00098897
                               4      0.00265847  5      0.00044805
                               6     -0.00006816
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12082880

     ex.-cor. contribution :   0     -0.64976996  1     -0.00144003
                               2      0.04939082  3      0.00852703
                               4      0.01896859  5      0.00381661
                               6      0.00029266
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57021428

     eff. pot. contribution     :     -0.41231035
     total double counting contribution                 :     -1.10335343

   Total contribution of atom 12 =    -1.54508408
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71307116 p = -1151.11283154
                                d =  -209.58253441
       valence  contribution :  s =    -0.60841856 p =    -0.22391422
                                d =    -0.01375772 f =    -0.00363146
                                ns      0.00124164
     single particle energies  spin  up    
         core   contribution :  s = -2756.08267089 p = -1151.94451233
                                d =  -210.50430771
       valence  contribution :  s =    -0.67229975 p =    -0.28722559
                                d =    -0.01441338 f =    -0.00368489
                                ns      0.00118583
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.76484613
                                   band energy per atom :   -1.8249180989

     coulomb  contribution :   0   5299.00116129  1     -0.00695418
                               2     -0.00081206  3     -0.00388738
                               4     -0.00422614  5      0.00029500
                               6      0.00002900
     --------------------------------------------------------------------
     tot. coulomb contribution :   5298.98560553

     ex.-cor. contribution :   0   -339.67316681  1      0.01215088
                               2     -0.00319209  3     -0.01469459
                               4     -0.01438977  5      0.00223351
                               6     -0.00001805
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.69107692

     eff. pot. contribution     : -10302.87263172
     total double counting contribution                 :  -5343.57810312

   Total contribution of atom 13 =-13580.34294925
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71310938 p = -1151.11291709
                                d =  -209.58262834
       valence  contribution :  s =    -0.60840240 p =    -0.22390709
                                d =    -0.01375679 f =    -0.00363170
                                ns      0.00124019
     single particle energies  spin  up    
         core   contribution :  s = -2756.08270909 p = -1151.94459787
                                d =  -210.50440163
       valence  contribution :  s =    -0.67228364 p =    -0.28721523
                                d =    -0.01441232 f =    -0.00368509
                                ns      0.00118395
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.76523351
                                   band energy per atom :   -1.8248700975

     coulomb  contribution :   0   5298.99931365  1     -0.00694418
                               2     -0.00081537  3     -0.00388093
                               4     -0.00422918  5      0.00029578
                               6      0.00002902
     --------------------------------------------------------------------
     tot. coulomb contribution :   5298.98376880

     ex.-cor. contribution :   0   -339.67309501  1      0.01215077
                               2     -0.00320077  3     -0.01466345
                               4     -0.01439785  5      0.00223464
                               6     -0.00001798
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.69098966

     eff. pot. contribution     : -10302.87016333
     total double counting contribution                 :  -5343.57738419

   Total contribution of atom 14 =-13580.34261770
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71310937 p = -1151.11291709
                                d =  -209.58262834
       valence  contribution :  s =    -0.60840240 p =    -0.22390709
                                d =    -0.01375679 f =    -0.00363170
                                ns      0.00124019
     single particle energies  spin  up    
         core   contribution :  s = -2756.08270911 p = -1151.94459787
                                d =  -210.50440163
       valence  contribution :  s =    -0.67228364 p =    -0.28721523
                                d =    -0.01441232 f =    -0.00368509
                                ns      0.00118395
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.76523352
                                   band energy per atom :   -1.8248700985

     coulomb  contribution :   0   5298.99931375  1     -0.00694418
                               2     -0.00081537  3     -0.00388093
                               4     -0.00422918  5      0.00029578
                               6      0.00002902
     --------------------------------------------------------------------
     tot. coulomb contribution :   5298.98376889

     ex.-cor. contribution :   0   -339.67309503  1      0.01215077
                               2     -0.00320078  3     -0.01466235
                               4     -0.01439791  5      0.00223464
                               6     -0.00001798
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.69098863

     eff. pot. contribution     : -10302.87016342
     total double counting contribution                 :  -5343.57738315

   Total contribution of atom 15 =-13580.34261667
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73074212 p = -1151.15311941
                                d =  -209.62821098
       valence  contribution :  s =    -0.61333457 p =    -0.22920812
                                d =    -0.01345245 f =    -0.00349708
                                ns      0.00022184
     single particle energies  spin  up    
         core   contribution :  s = -2756.10031433 p = -1151.98472527
                                d =  -210.54984921
       valence  contribution :  s =    -0.67696069 p =    -0.29361503
                                d =    -0.01436646 f =    -0.00368481
                                ns      0.00035630
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99450237
                                   band energy per atom :   -1.8475410491

     coulomb  contribution :   0   5301.56061375  1      0.00129909
                               2     -0.00130332  3     -0.00393892
                               4     -0.00523455  5      0.00050989
                               6     -0.00001421
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.55193173

     ex.-cor. contribution :   0   -339.74138850  1      0.01198610
                               2     -0.00375544  3     -0.01367808
                               4     -0.01393257  5      0.00203361
                               6     -0.00003238
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75876726

     eff. pot. contribution     : -10305.17880912
     total double counting contribution                 :  -5343.38564465

   Total contribution of atom 16 =-13580.38014703
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73070369 p = -1151.15303285
                                d =  -209.62811492
       valence  contribution :  s =    -0.61332119 p =    -0.22922969
                                d =    -0.01345206 f =    -0.00349674
                                ns      0.00022001
     single particle energies  spin  up    
         core   contribution :  s = -2756.10027589 p = -1151.98463867
                                d =  -210.54975308
       valence  contribution :  s =    -0.67694556 p =    -0.29363966
                                d =    -0.01436626 f =    -0.00368447
                                ns      0.00035453
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99408019
                                   band energy per atom :   -1.8475610824

     coulomb  contribution :   0   5301.55929599  1      0.00128916
                               2     -0.00129167  3     -0.00394010
                               4     -0.00523208  5      0.00050922
                               6     -0.00001414
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.55061637

     ex.-cor. contribution :   0   -339.74139527  1      0.01198473
                               2     -0.00374554  3     -0.01366486
                               4     -0.01394772  5      0.00203347
                               6     -0.00003231
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75876752

     eff. pot. contribution     : -10305.17819776
     total double counting contribution                 :  -5343.38634890

   Total contribution of atom 17 =-13580.38042909
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73070369 p = -1151.15303285
                                d =  -209.62811492
       valence  contribution :  s =    -0.61332119 p =    -0.22922969
                                d =    -0.01345206 f =    -0.00349674
                                ns      0.00022001
     single particle energies  spin  up    
         core   contribution :  s = -2756.10027590 p = -1151.98463868
                                d =  -210.54975308
       valence  contribution :  s =    -0.67694556 p =    -0.29363966
                                d =    -0.01436626 f =    -0.00368447
                                ns      0.00035453
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99408020
                                   band energy per atom :   -1.8475610837

     coulomb  contribution :   0   5301.55929614  1      0.00128916
                               2     -0.00129167  3     -0.00394010
                               4     -0.00523208  5      0.00050922
                               6     -0.00001414
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.55061651

     ex.-cor. contribution :   0   -339.74139525  1      0.01198473
                               2     -0.00374558  3     -0.01366986
                               4     -0.01394374  5      0.00203347
                               6     -0.00003231
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75876855

     eff. pot. contribution     : -10305.17819789
     total double counting contribution                 :  -5343.38634992

   Total contribution of atom 18 =-13580.38043012
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73074212 p = -1151.15311942
                                d =  -209.62821098
       valence  contribution :  s =    -0.61333457 p =    -0.22920812
                                d =    -0.01345245 f =    -0.00349708
                                ns      0.00022184
     single particle energies  spin  up    
         core   contribution :  s = -2756.10031433 p = -1151.98472527
                                d =  -210.54984921
       valence  contribution :  s =    -0.67696069 p =    -0.29361503
                                d =    -0.01436646 f =    -0.00368481
                                ns      0.00035630
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99450239
                                   band energy per atom :   -1.8475410509

     coulomb  contribution :   0   5301.56061399  1      0.00129909
                               2     -0.00130332  3     -0.00393892
                               4     -0.00523455  5      0.00050989
                               6     -0.00001421
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.55193197

     ex.-cor. contribution :   0   -339.74138851  1      0.01198610
                               2     -0.00375541  3     -0.01367192
                               4     -0.01393806  5      0.00203361
                               6     -0.00003238
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75876657

     eff. pot. contribution     : -10305.17880935
     total double counting contribution                 :  -5343.38564395

   Total contribution of atom 19 =-13580.38014633
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73073706 p = -1151.15310796
                                d =  -209.62819822
       valence  contribution :  s =    -0.61332701 p =    -0.22925112
                                d =    -0.01345082 f =    -0.00349638
                                ns      0.00022222
     single particle energies  spin  up    
         core   contribution :  s = -2756.10030928 p = -1151.98471388
                                d =  -210.54983655
       valence  contribution :  s =    -0.67695224 p =    -0.29365877
                                d =    -0.01436479 f =    -0.00368405
                                ns      0.00035626
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99450965
                                   band energy per atom :   -1.8476066962

     coulomb  contribution :   0   5301.56138893  1      0.00128670
                               2     -0.00129457  3     -0.00393674
                               4     -0.00523618  5      0.00050956
                               6     -0.00001410
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.55270361

     ex.-cor. contribution :   0   -339.74145249  1      0.01198263
                               2     -0.00374515  3     -0.01366160
                               4     -0.01395270  5      0.00203391
                               6     -0.00003228
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75882769

     eff. pot. contribution     : -10305.17968598
     total double counting contribution                 :  -5343.38581005

   Total contribution of atom 20 =-13580.38031970
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73073705 p = -1151.15310796
                                d =  -209.62819822
       valence  contribution :  s =    -0.61332701 p =    -0.22925112
                                d =    -0.01345082 f =    -0.00349638
                                ns      0.00022222
     single particle energies  spin  up    
         core   contribution :  s = -2756.10030929 p = -1151.98471388
                                d =  -210.54983655
       valence  contribution :  s =    -0.67695224 p =    -0.29365877
                                d =    -0.01436479 f =    -0.00368405
                                ns      0.00035626
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99450964
                                   band energy per atom :   -1.8476066957

     coulomb  contribution :   0   5301.56138883  1      0.00128670
                               2     -0.00129457  3     -0.00393674
                               4     -0.00523618  5      0.00050956
                               6     -0.00001410
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.55270351

     ex.-cor. contribution :   0   -339.74145248  1      0.01198263
                               2     -0.00374515  3     -0.01366112
                               4     -0.01395142  5      0.00203391
                               6     -0.00003228
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75882592

     eff. pot. contribution     : -10305.17968588
     total double counting contribution                 :  -5343.38580829

   Total contribution of atom 21 =-13580.38031793
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68614963 p = -1151.04934163
                                d =  -209.50128573
       valence  contribution :  s =    -0.59696536 p =    -0.21100397
                                d =    -0.01172322 f =    -0.00315533
                                ns     -0.00901231
     single particle energies  spin  up    
         core   contribution :  s = -2756.05573114 p = -1151.88099680
                                d =  -210.42369591
       valence  contribution :  s =    -0.66312727 p =    -0.27826049
                                d =    -0.01262338 f =    -0.00335874
                                ns     -0.00942793
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.39585884
                                   band energy per atom :   -1.7986579929

     coulomb  contribution :   0   5313.69221217  1     -0.00027624
                               2     -0.00281749  3     -0.00001573
                               4     -0.00659244  5     -0.00000077
                               6      0.00001252
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.68252201

     ex.-cor. contribution :   0   -339.77997107  1     -0.00004826
                               2     -0.00926083  3     -0.00060473
                               4     -0.03731342  5     -0.00000033
                               6      0.00016039
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82703826

     eff. pot. contribution     : -10317.99155410
     total double counting contribution                 :  -5344.13607035

   Total contribution of atom 22 =-13580.53192919
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68614259 p = -1151.04932611
                                d =  -209.50126913
       valence  contribution :  s =    -0.59696378 p =    -0.21100236
                                d =    -0.01172288 f =    -0.00315496
                                ns     -0.00901303
     single particle energies  spin  up    
         core   contribution :  s = -2756.05572411 p = -1151.88098122
                                d =  -210.42367920
       valence  contribution :  s =    -0.66312578 p =    -0.27825698
                                d =    -0.01262351 f =    -0.00335859
                                ns     -0.00942833
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.39577256
                                   band energy per atom :   -1.7986501961

     coulomb  contribution :   0   5313.69432048  1     -0.00027638
                               2     -0.00280402  3     -0.00001594
                               4     -0.00659221  5     -0.00000079
                               6      0.00001251
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.68464365

     ex.-cor. contribution :   0   -339.78002574  1     -0.00004831
                               2     -0.00926030  3     -0.00058366
                               4     -0.03731675  5     -0.00000033
                               6      0.00016041
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82707468

     eff. pot. contribution     : -10317.99378184
     total double counting contribution                 :  -5344.13621286

   Total contribution of atom 23 =-13580.53198542
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68614262 p = -1151.04932611
                                d =  -209.50126913
       valence  contribution :  s =    -0.59696378 p =    -0.21100236
                                d =    -0.01172288 f =    -0.00315496
                                ns     -0.00901303
     single particle energies  spin  up    
         core   contribution :  s = -2756.05572408 p = -1151.88098122
                                d =  -210.42367920
       valence  contribution :  s =    -0.66312578 p =    -0.27825698
                                d =    -0.01262351 f =    -0.00335859
                                ns     -0.00942833
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.39577256
                                   band energy per atom :   -1.7986501962

     coulomb  contribution :   0   5313.69432057  1     -0.00027638
                               2     -0.00280402  3     -0.00001594
                               4     -0.00659221  5     -0.00000079
                               6      0.00001251
     --------------------------------------------------------------------
     tot. coulomb contribution :   5313.68464374

     ex.-cor. contribution :   0   -339.78002568  1     -0.00004831
                               2     -0.00926094  3     -0.00058068
                               4     -0.03732389  5     -0.00000033
                               6      0.00016041
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82707942

     eff. pot. contribution     : -10317.99378193
     total double counting contribution                 :  -5344.13621760

   Total contribution of atom 24 =-13580.53199016
                                   sum of band energies :  -31.7440403793
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.56027984
                                eV  : -3231099.40125550
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:52:16:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            6
25.03.2020 19:52:16:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   6.802386511916704E-011  2.231747958813965E-007
  0.228167122882213     
 magnetic moment2 is   6.802079301621768E-011  2.231747986420009E-007
 -0.153899668792115     
 magnetic moment is   7.641862088871715E-011  6.010483711632140E-004
  3.631866748157209E-002
 magnetic moment2 is   7.641862088871715E-011  6.010483711632140E-004
 -1.142483837988806E-002
 magnetic moment is   5.225254645484813E-004 -2.997639393255377E-004
  3.632197581136531E-002
 magnetic moment2 is   5.225254645484813E-004 -2.997639393255377E-004
 -1.142474657775866E-002
 magnetic moment is  -5.225254120954507E-004 -2.997639964671591E-004
  3.632197630348277E-002
 magnetic moment2 is  -5.225254120954507E-004 -2.997639964671591E-004
 -1.142474626030113E-002
 magnetic moment is  -1.574995613529834E-011 -6.433490809723936E-004
  3.830937793507805E-002
 magnetic moment2 is  -1.574995613529834E-011 -6.433490809723936E-004
 -1.424237508787720E-002
 magnetic moment is  -5.575133359115420E-004  3.212901026036369E-004
  3.828703660090943E-002
 magnetic moment2 is  -5.575133359115420E-004  3.212901026036369E-004
 -1.426280693234082E-002
 magnetic moment is   5.575134147488259E-004  3.212901452609492E-004
  3.828703772735337E-002
 magnetic moment2 is   5.575134147488259E-004  3.212901452609492E-004
 -1.426280591143968E-002
 magnetic moment is  -1.470136322304496E-011 -5.737101129150098E-007
  3.854757336709413E-002
 magnetic moment2 is  -1.470136322304496E-011 -5.737101129150098E-007
 -1.439210261128152E-002
 magnetic moment is  -2.279800684172606E-010 -1.092067996809520E-003
  0.131758359084080     
 magnetic moment2 is  -2.279898517697741E-010 -1.094635082939268E-003
 -8.278637166592240E-002
 magnetic moment is  -9.484359542432542E-004  5.457803221873861E-004
  0.131739070769296     
 magnetic moment2 is  -9.506596111401516E-004  5.470630755607598E-004
 -8.280612079431393E-002
 magnetic moment is   9.484359182332272E-004  5.457803790217173E-004
  0.131739074197349     
 magnetic moment2 is   9.506595752405544E-004  5.470631323293394E-004
 -8.280611746878838E-002
 magnetic moment is   2.112655507341018E-011 -5.047955110090290E-009
  4.392953013152856E-002
 magnetic moment2 is   2.112655507341018E-011 -5.047955110090290E-009
 -6.774318354695358E-003
 magnetic moment is   7.959016193499757E-011  2.871357787342678E-004
  0.218528923746001     
 magnetic moment2 is   7.958882468003803E-011  2.874905572848451E-004
  1.666089460720407E-002
 magnetic moment is   2.487281927902721E-004 -1.442799333294341E-004
  0.218514007014229     
 magnetic moment2 is   2.490394636630718E-004 -1.444625509517432E-004
  1.664646541478038E-002
 magnetic moment is  -2.487281460475686E-004 -1.442799811568802E-004
  0.218514007498142     
 magnetic moment2 is  -2.490394169737725E-004 -1.444625987775175E-004
  1.664646590129973E-002
 magnetic moment is  -6.030903826619723E-004  8.031317049444288E-004
  0.194182881521539     
 magnetic moment2 is  -6.030486297167149E-004  8.030404047191608E-004
 -6.829345446506097E-003
 magnetic moment is   3.952294855682516E-004 -9.229610461213789E-004
  0.194162681375940     
 magnetic moment2 is   3.951725211207756E-004 -9.228782167547479E-004
 -6.850088715393526E-003
 magnetic moment is  -3.952294003169512E-004 -9.229608572561205E-004
  0.194162682753128     
 magnetic moment2 is  -3.951724358808219E-004 -9.228780278934170E-004
 -6.850087336747163E-003
 magnetic moment is   6.030905089105575E-004  8.031316196508629E-004
  0.194182880173650     
 magnetic moment2 is   6.030487559496122E-004  8.030403194351838E-004
 -6.829346765002492E-003
 magnetic moment is   9.942804282594480E-004  1.199830083577796E-004
  0.194211230705677     
 magnetic moment2 is   9.941781741770515E-004  1.199873345112106E-004
 -6.801438222086759E-003
 magnetic moment is  -9.942802540854002E-004  1.199829008607347E-004
  0.194211233378223     
 magnetic moment2 is  -9.941780000119369E-004  1.199872270123924E-004
 -6.801435577662288E-003
 magnetic moment is  -3.753586962193696E-011 -5.347321806232321E-004
  0.202959864732950     
 magnetic moment2 is  -3.757479947303320E-011 -5.347444818872824E-004
 -1.249429384488134E-002
 magnetic moment is  -4.597128445290988E-004  2.671279755848423E-004
  0.202909201130032     
 magnetic moment2 is  -4.597086957167375E-004  2.671255850245362E-004
 -1.254490663931715E-002
 magnetic moment is   4.597129294271960E-004  2.671280135758616E-004
  0.202909203027325     
 magnetic moment2 is   4.597087806143359E-004  2.671256230158664E-004
 -1.254490473922290E-002
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.41722294  0.44257909    0.0254
          p =  0.11420029  0.14157204    0.0274
          d =  4.19649244  4.37201706    0.1755
          f =  0.00921251  0.01010773    0.0009
          ns  -0.01763852 -0.01861913   -0.0010
          ------------------------------------
          TOT  4.71948967  4.94765679    0.2282
                           9.66714646
   ========================== 
      2   s =  0.23964244  0.25630472    0.0167
          p =  0.31374592  0.32968145    0.0159
          d =  0.16668081  0.17591311    0.0092
          f =  0.06346821  0.06870167    0.0052
          ns  -0.12221398 -0.13295888   -0.0107
          ------------------------------------
          TOT  0.66132339  0.69764206    0.0363
                           1.35896545
   ========================== 
      3   s =  0.23954396  0.25622365    0.0167
          p =  0.31350854  0.32944857    0.0159
          d =  0.16653669  0.17575348    0.0092
          f =  0.06341769  0.06863962    0.0052
          ns  -0.12201634 -0.13275280   -0.0107
          ------------------------------------
          TOT  0.66099054  0.69731252    0.0363
                           1.35830306
   ========================== 
      4   s =  0.23954396  0.25622365    0.0167
          p =  0.31350854  0.32944857    0.0159
          d =  0.16653669  0.17575348    0.0092
          f =  0.06341769  0.06863962    0.0052
          ns  -0.12201634 -0.13275280   -0.0107
          ------------------------------------
          TOT  0.66099054  0.69731251    0.0363
                           1.35830305
   ========================== 
      5   s =  0.15780494  0.17339401    0.0156
          p =  0.20804647  0.22263827    0.0146
          d =  0.10716930  0.11464926    0.0075
          f =  0.03719490  0.04038411    0.0032
          ns  -0.02426620 -0.02680687   -0.0025
          ------------------------------------
          TOT  0.48594940  0.52425878    0.0383
                           1.01020818
   ========================== 
      6   s =  0.15775727  0.17333764    0.0156
          p =  0.20804464  0.22262410    0.0146
          d =  0.10720036  0.11467691    0.0075
          f =  0.03720325  0.04039324    0.0032
          ns  -0.02426652 -0.02680585   -0.0025
          ------------------------------------
          TOT  0.48593900  0.52422603    0.0383
                           1.01016503
   ========================== 
      7   s =  0.15775727  0.17333764    0.0156
          p =  0.20804464  0.22262410    0.0146
          d =  0.10720036  0.11467691    0.0075
          f =  0.03720325  0.04039324    0.0032
          ns  -0.02426652 -0.02680585   -0.0025
          ------------------------------------
          TOT  0.48593900  0.52422603    0.0383
                           1.01016503
   ========================== 
      8   s =  0.20869494  0.22406026    0.0154
          p =  0.28004664  0.29511910    0.0151
          d =  0.14159607  0.15161386    0.0100
          f =  0.04013663  0.04552187    0.0054
          ns  -0.04293601 -0.05022924   -0.0073
          ------------------------------------
          TOT  0.62753827  0.66608584    0.0385
                           1.29362411
   ========================== 
      9   s =  0.81647321  0.84621616    0.0297
          p =  0.76449333  0.86187753    0.0974
          d =  0.08483358  0.08853556    0.0037
          f =  0.02086992  0.02158656    0.0007
          ns   0.01069861  0.01091120    0.0002
          ------------------------------------
          TOT  1.69736865  1.82912701    0.1318
                           3.52649566
   ========================== 
     10   s =  0.81647085  0.84622808    0.0298
          p =  0.76426144  0.86160596    0.0973
          d =  0.08483442  0.08854012    0.0037
          f =  0.02087677  0.02159380    0.0007
          ns   0.01070957  0.01092417    0.0002
          ------------------------------------
          TOT  1.69715306  1.82889213    0.1317
                           3.52604520
   ========================== 
     11   s =  0.81647085  0.84622808    0.0298
          p =  0.76426144  0.86160596    0.0973
          d =  0.08483442  0.08854012    0.0037
          f =  0.02087677  0.02159380    0.0007
          ns   0.01070957  0.01092417    0.0002
          ------------------------------------
          TOT  1.69715306  1.82889214    0.1317
                           3.52604520
   ========================== 
     12   s =  0.22944858  0.24835202    0.0189
          p =  0.30390214  0.32361417    0.0197
          d =  0.15648202  0.16842256    0.0119
          f =  0.05059098  0.05634397    0.0058
          ns  -0.11130490 -0.12368437   -0.0124
          ------------------------------------
          TOT  0.62911882  0.67304835    0.0439
                           1.30216718
   ========================== 
     13   s =  0.84589893  0.86075205    0.0149
          p =  1.21576660  1.42015690    0.2044
          d =  0.04987613  0.05026452    0.0004
          f =  0.01183239  0.01186446    0.0000
          ns   0.00230806  0.00117311   -0.0011
          ------------------------------------
          TOT  2.12568211  2.34421104    0.2185
                           4.46989315
   ========================== 
     14   s =  0.84588704  0.86074503    0.0149
          p =  1.21574597  1.42011639    0.2044
          d =  0.04987726  0.05026582    0.0004
          f =  0.01183376  0.01186522    0.0000
          ns   0.00231629  0.00118187   -0.0011
          ------------------------------------
          TOT  2.12566032  2.34417433    0.2185
                           4.46983465
   ========================== 
     15   s =  0.84588704  0.86074503    0.0149
          p =  1.21574597  1.42011639    0.2044
          d =  0.04987726  0.05026582    0.0004
          f =  0.01183376  0.01186522    0.0000
          ns   0.00231629  0.00118187   -0.0011
          ------------------------------------
          TOT  2.12566032  2.34417433    0.2185
                           4.46983466
   ========================== 
     16   s =  0.84632738  0.86165159    0.0153
          p =  1.25730055  1.43556496    0.1783
          d =  0.04939416  0.05066158    0.0013
          f =  0.01160882  0.01196144    0.0004
          ns   0.00381017  0.00278438   -0.0010
          ------------------------------------
          TOT  2.16844107  2.36262396    0.1942
                           4.53106503
   ========================== 
     17   s =  0.84630464  0.86163028    0.0153
          p =  1.25734713  1.43558781    0.1782
          d =  0.04939481  0.05066381    0.0013
          f =  0.01160599  0.01195930    0.0004
          ns   0.00381605  0.00279009   -0.0010
          ------------------------------------
          TOT  2.16846862  2.36263130    0.1942
                           4.53109992
   ========================== 
     18   s =  0.84630464  0.86163028    0.0153
          p =  1.25734713  1.43558782    0.1782
          d =  0.04939481  0.05066381    0.0013
          f =  0.01160599  0.01195930    0.0004
          ns   0.00381605  0.00279009   -0.0010
          ------------------------------------
          TOT  2.16846862  2.36263130    0.1942
                           4.53109992
   ========================== 
     19   s =  0.84632738  0.86165159    0.0153
          p =  1.25730055  1.43556497    0.1783
          d =  0.04939416  0.05066158    0.0013
          f =  0.01160882  0.01196144    0.0004
          ns   0.00381017  0.00278438   -0.0010
          ------------------------------------
          TOT  2.16844108  2.36262396    0.1942
                           4.53106504
   ========================== 
     20   s =  0.84630154  0.86163100    0.0153
          p =  1.25736179  1.43564750    0.1783
          d =  0.04939902  0.05066823    0.0013
          f =  0.01160834  0.01196051    0.0004
          ns   0.00381295  0.00278763   -0.0010
          ------------------------------------
          TOT  2.16848364  2.36269487    0.1942
                           4.53117850
   ========================== 
     21   s =  0.84630154  0.86163100    0.0153
          p =  1.25736178  1.43564750    0.1783
          d =  0.04939902  0.05066823    0.0013
          f =  0.01160834  0.01196051    0.0004
          ns   0.00381295  0.00278763   -0.0010
          ------------------------------------
          TOT  2.16848363  2.36269487    0.1942
                           4.53117850
   ========================== 
     22   s =  0.83716671  0.85462372    0.0175
          p =  1.29272881  1.47803451    0.1853
          d =  0.04745384  0.04897486    0.0015
          f =  0.01205034  0.01222999    0.0002
          ns   0.02307953  0.02157601   -0.0015
          ------------------------------------
          TOT  2.21247923  2.41543909    0.2030
                           4.62791832
   ========================== 
     23   s =  0.83717208  0.85462804    0.0175
          p =  1.29277522  1.47803094    0.1853
          d =  0.04745579  0.04897609    0.0015
          f =  0.01204951  0.01223084    0.0002
          ns   0.02308092  0.02157682   -0.0015
          ------------------------------------
          TOT  2.21253353  2.41544273    0.2029
                           4.62797626
   ========================== 
     24   s =  0.83717208  0.85462804    0.0175
          p =  1.29277522  1.47803095    0.1853
          d =  0.04745579  0.04897609    0.0015
          f =  0.01204951  0.01223084    0.0002
          ns   0.02308092  0.02157682   -0.0015
          ------------------------------------
          TOT  2.21253353  2.41544273    0.2029
                           4.62797626
 
############################################
 
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   77.667144
       spin moment in wigner seitz cell =    0.228167
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     0.667144
                              spin magnetic moment =     0.228167
 
  Atom    2 charge in wigner seitz cell =    1.358963
       spin moment in wigner seitz cell =    0.036319
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.358963
                              spin magnetic moment =     0.036319
 
  Atom    3 charge in wigner seitz cell =    1.358301
       spin moment in wigner seitz cell =    0.036322
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.358301
                              spin magnetic moment =     0.036322
 
  Atom    4 charge in wigner seitz cell =    1.358301
       spin moment in wigner seitz cell =    0.036322
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.358301
                              spin magnetic moment =     0.036322
 
  Atom    5 charge in wigner seitz cell =    1.010207
       spin moment in wigner seitz cell =    0.038309
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.010207
                              spin magnetic moment =     0.038309
 
  Atom    6 charge in wigner seitz cell =    1.010164
       spin moment in wigner seitz cell =    0.038287
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.010164
                              spin magnetic moment =     0.038287
 
  Atom    7 charge in wigner seitz cell =    1.010164
       spin moment in wigner seitz cell =    0.038287
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.010164
                              spin magnetic moment =     0.038287
 
  Atom    8 charge in wigner seitz cell =    1.293621
       spin moment in wigner seitz cell =    0.038547
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.293621
                              spin magnetic moment =     0.038547
 
  Atom    9 charge in wigner seitz cell =   49.526493
       spin moment in wigner seitz cell =    0.131758
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.473507
                              spin magnetic moment =     0.131758
 
  Atom   10 charge in wigner seitz cell =   49.526042
       spin moment in wigner seitz cell =    0.131739
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.473958
                              spin magnetic moment =     0.131739
 
  Atom   11 charge in wigner seitz cell =   49.526042
       spin moment in wigner seitz cell =    0.131739
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.473958
                              spin magnetic moment =     0.131739
 
  Atom   12 charge in wigner seitz cell =    1.302165
       spin moment in wigner seitz cell =    0.043929
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =     1.302165
                              spin magnetic moment =     0.043929
 
  Atom   13 charge in wigner seitz cell =   50.469891
       spin moment in wigner seitz cell =    0.218529
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.530109
                              spin magnetic moment =     0.218529
 
  Atom   14 charge in wigner seitz cell =   50.469832
       spin moment in wigner seitz cell =    0.218514
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.530168
                              spin magnetic moment =     0.218514
 
  Atom   15 charge in wigner seitz cell =   50.469832
       spin moment in wigner seitz cell =    0.218514
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.530168
                              spin magnetic moment =     0.218514
 
  Atom   16 charge in wigner seitz cell =   50.531063
       spin moment in wigner seitz cell =    0.194183
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.468937
                              spin magnetic moment =     0.194183
 
  Atom   17 charge in wigner seitz cell =   50.531097
       spin moment in wigner seitz cell =    0.194163
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.468903
                              spin magnetic moment =     0.194163
 
  Atom   18 charge in wigner seitz cell =   50.531097
       spin moment in wigner seitz cell =    0.194163
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.468903
                              spin magnetic moment =     0.194163
 
  Atom   19 charge in wigner seitz cell =   50.531063
       spin moment in wigner seitz cell =    0.194183
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.468937
                              spin magnetic moment =     0.194183
 
  Atom   20 charge in wigner seitz cell =   50.531176
       spin moment in wigner seitz cell =    0.194211
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.468824
                              spin magnetic moment =     0.194211
 
  Atom   21 charge in wigner seitz cell =   50.531176
       spin moment in wigner seitz cell =    0.194211
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.468824
                              spin magnetic moment =     0.194211
 
  Atom   22 charge in wigner seitz cell =   50.627917
       spin moment in wigner seitz cell =    0.202960
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.372083
                              spin magnetic moment =     0.202960
 
  Atom   23 charge in wigner seitz cell =   50.627975
       spin moment in wigner seitz cell =    0.202909
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.372025
                              spin magnetic moment =     0.202909
 
  Atom   24 charge in wigner seitz cell =   50.627975
       spin moment in wigner seitz cell =    0.202909
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   6 charge neutrality in unit cell =    -1.372025
                              spin magnetic moment =     0.202909
 
                    TOTAL mag. moment in unit cell =     3.359175
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:55:49:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:49:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  7.8680D-01  ,  v+ - v- =  2.7501D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  7.6227D-02  ,  v+ - v- =  1.4124D-03
      rms-error for atom  2 :v+ + v- =  6.1448D-02  ,  v+ - v- =  2.7827D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.2323D-01  ,  v+ - v- =  1.0423D-03
      rms-error for atom  3 :v+ + v- =  6.1153D-02  ,  v+ - v- =  2.7826D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.2357D-01  ,  v+ - v- =  1.0457D-03
      rms-error for atom  4 :v+ + v- =  6.1153D-02  ,  v+ - v- =  2.7826D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.2357D-01  ,  v+ - v- =  1.0457D-03
      rms-error for atom  5 :v+ + v- =  1.8060D-02  ,  v+ - v- =  3.2801D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.0325D-01  ,  v+ - v- =  6.3367D-04
      rms-error for atom  6 :v+ + v- =  1.8229D-02  ,  v+ - v- =  3.2802D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.0346D-01  ,  v+ - v- =  6.3365D-04
      rms-error for atom  7 :v+ + v- =  1.8229D-02  ,  v+ - v- =  3.2802D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.0346D-01  ,  v+ - v- =  6.3365D-04
      rms-error for atom  8 :v+ + v- =  1.5643D-02  ,  v+ - v- =  3.0415D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.0894D-01  ,  v+ - v- =  1.1764D-03
      rms-error for atom  9 :v+ + v- =  2.2142D-02  ,  v+ - v- =  3.2493D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  9.4162D-02  ,  v+ - v- =  7.2090D-04
      rms-error for atom 10 :v+ + v- =  2.2231D-02  ,  v+ - v- =  3.2493D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  9.4263D-02  ,  v+ - v- =  7.2055D-04
      rms-error for atom 11 :v+ + v- =  2.2231D-02  ,  v+ - v- =  3.2493D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  9.4263D-02  ,  v+ - v- =  7.2055D-04
      rms-error for atom 12 :v+ + v- =  3.4282D-02  ,  v+ - v- =  2.7421D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  6.8138D-02  ,  v+ - v- =  1.0895D-03
      rms-error for atom 13 :v+ + v- =  7.5796D-02  ,  v+ - v- =  2.6340D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  4.0361D-02  ,  v+ - v- =  8.2770D-04
      rms-error for atom 14 :v+ + v- =  7.5930D-02  ,  v+ - v- =  2.6341D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  4.0572D-02  ,  v+ - v- =  8.2795D-04
      rms-error for atom 15 :v+ + v- =  7.5930D-02  ,  v+ - v- =  2.6341D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  4.0572D-02  ,  v+ - v- =  8.2795D-04
      rms-error for atom 16 :v+ + v- =  8.2574D-02  ,  v+ - v- =  2.6677D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.8024D-02  ,  v+ - v- =  8.6272D-04
      rms-error for atom 17 :v+ + v- =  8.2422D-02  ,  v+ - v- =  2.6678D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.8119D-02  ,  v+ - v- =  8.5796D-04
      rms-error for atom 18 :v+ + v- =  8.2422D-02  ,  v+ - v- =  2.6678D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.8119D-02  ,  v+ - v- =  8.5796D-04
      rms-error for atom 19 :v+ + v- =  8.2574D-02  ,  v+ - v- =  2.6677D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.8024D-02  ,  v+ - v- =  8.6272D-04
      rms-error for atom 20 :v+ + v- =  8.2547D-02  ,  v+ - v- =  2.6677D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.8045D-02  ,  v+ - v- =  8.6635D-04
      rms-error for atom 21 :v+ + v- =  8.2547D-02  ,  v+ - v- =  2.6677D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.8045D-02  ,  v+ - v- =  8.6635D-04
      rms-error for atom 22 :v+ + v- =  8.8750D-02  ,  v+ - v- =  2.9052D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.6327D-02  ,  v+ - v- =  6.2457D-04
      rms-error for atom 23 :v+ + v- =  8.8706D-02  ,  v+ - v- =  2.9053D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.6524D-02  ,  v+ - v- =  6.2415D-04
      rms-error for atom 24 :v+ + v- =  8.8706D-02  ,  v+ - v- =  2.9053D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.6524D-02  ,  v+ - v- =  6.2415D-04
      ITERATION   6 average rms-error : v+ + v- =  1.8869D-01
                                        v+ - v- =  2.8906D-02
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.271788460221077E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  5.483256095456756E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.536325301467463E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.721493483524099E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.659075223816813E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.462812126646958E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  8.532946664195644E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  4.213625184493371E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.855156222352092E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.959032490783912E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.130881516103075E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.756464580489803E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  7.938399085136173E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.243564253526165E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  2.031865575506337E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  3.671639952794697E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  7.028520752191046E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  2.498520837691184E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.495960746177367E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.535837086766996E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.411577640933131E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  7.757130994724721E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.389411873043955E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.009258670514357E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.890756789691522E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.530845808914998E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.345120909513529E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.177947379578993E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  7.321502433376111E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  8.815116686525370E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  3.908828448015985E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  9.774903440287160E-007
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.898929361152320E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  7.439836950994379E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.229653527616458E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  8.166198956748224E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.052872534194924E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  3.939046112253759E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  6.486651653932053E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.256417920305169E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  9.583829384375972E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.048285102118498E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  6.754154419830538E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.190342911885283E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.233106458800905E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.038797994126712E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.670708577901078E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.398880559999156E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.612969953399881E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  1.614970675991938E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.160161469124431E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  8.178225945461735E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  6.961197909046974E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.067216746321149E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  2.058158012579981E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.295960700064915E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.721060847772243E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.159887162365422E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  1.167923662470930E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.474180022422413E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.803780669610352E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  2.158528700506987E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.056439576454763E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.365607886132646E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  2.365843672010318E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  4.067017781186568E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  2.006437010362296E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  8.082335609270427E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  1.400187830793621E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  1.660217648065430E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  2.353006462342273E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  4.447538995948652E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  1.029605725116677E-003
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  1.012526237828486E-003
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  1.349997946173717E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  5.837660632733395E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  2.083838870459675E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  1.180717521232553E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  1.782497869965182E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  2.158528548370912E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  2.056077449074317E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.365607850295025E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  2.365843737475668E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  4.061012751560029E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  2.006436950411480E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  8.082335345099074E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  1.400187801850296E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  1.660217588643026E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  2.353028362646162E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  4.446416014711084E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  1.029605713851861E-003
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  1.012526216131120E-003
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  1.349997897675141E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  5.837660493619659E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  2.083497156854694E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  1.180717479558872E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  1.782497941057941E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  3.769463114173236E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  4.733446737035575E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.482381935844844E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  2.306281700945292E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.370101750474512E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  2.321944058081026E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  3.563678065212269E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.434244393798364E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.273393544212960E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.072715184061727E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  2.072264456609036E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.428575033210301E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  1.419774476306147E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.835840517740165E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  1.901343093334566E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  3.808401646215783E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  1.851288619150964E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.756480078727851E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  5.893702727175765E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  5.427363697050506E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  3.123078929448763E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  3.277776113786983E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.066175780907064E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.280728497770199E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  9.115640479971743E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  5.972912201923372E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  5.073435225908008E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  2.157832648856378E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.691534455292553E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  1.768283112064642E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.875496052731224E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  2.306157452992533E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  9.426040299622767E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  2.323327478667868E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  1.757867455248754E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  4.449425264548773E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  1.645332321302247E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.228143949582160E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  1.035661241320000E-003
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  1.793232131676661E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  7.090548002394290E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  2.679660152590759E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  9.499379540296709E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.155170398337567E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  1.851746103192422E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  5.894937524762916E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.013246532338623E-003
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.020127679964267E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  5.278584904492798E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.346911225089860E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.531319510316062E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  1.867194140216405E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  2.983910856778832E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  5.181072945210134E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  1.078592486534732E-003
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.226884142114629E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  8.839397296884401E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  2.333046175346007E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  2.306157379910172E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  9.426040019282090E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  2.323327409826512E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  1.757867411293532E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  4.449357631264955E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  1.645332420523522E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.228143977026465E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  1.035661218451603E-003
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  1.793232253074402E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  7.090548000512305E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  2.680366756138366E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  9.499379437412443E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.155170364328772E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  1.851746055248482E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  5.894937285634065E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.013246498328999E-003
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.020113930416484E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  5.279914228508788E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.346911204697276E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.531319739060195E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  1.867194176859180E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  2.983910630051633E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  5.181074374021077E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  1.078592470895602E-003
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.226678241362812E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  8.839397047636805E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  2.333046420194591E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.824442146582427E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.297521829104924E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.577372210678876E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  5.475741992473306E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.974948836312014E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  2.937454108812163E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.034035293832406E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.207139491228617E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.232455547939297E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  2.728654456097448E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.204755685096875E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.556469195690631E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.700013532190309E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  6.700230925744811E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.922475270926129E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.273017222128062E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.762439686240394E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  8.002630444000640E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.623572634896992E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.887838665679093E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  4.051167946689254E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.175836196436960E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.693711911284173E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.065633609715665E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.313598331945858E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  2.997150196295371E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.914645474014841E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.165988199234517E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  8.585713953500990E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  9.892157792875329E-011
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.802072097782155E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  5.202381956024339E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.422318812243064E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.335897427898165E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.454687747444469E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  1.921705069032268E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.256369760840841E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  2.006716470119356E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.770870948731537E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.096260884555626E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  1.060609607302117E-010
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  1.599426579038815E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.051597531205695E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.969050836703339E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.527495960126571E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.574045240535857E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  1.357979612527754E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  5.322747824848874E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.244049971099374E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  6.685838297834159E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.123011926125605E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  1.198336405899261E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  1.022131987616778E-010
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  2.857322831134690E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  4.026784330681322E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  1.237887371370273E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  8.129674781758624E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  2.977894340591074E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.369111543162110E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  5.678190136974768E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.431036356262846E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  5.455243400566736E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  1.842998959669275E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.416312180412839E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  1.351026809007035E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.664801328021097E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  8.455286231325784E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  2.258037730640591E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  8.005586934646531E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  1.383695541091235E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  5.541191348643169E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  9.727566901445835E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  1.076048570236388E-003
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  6.783997478634446E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  1.175913855994468E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  6.214503003050280E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.190073028622984E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  5.606725973758794E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  5.967533691665688E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  1.073116324001392E-003
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  1.502114145312354E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  6.177935353599261E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.287267994965032E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  1.489394343393613E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  1.038413319265002E-003
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  3.152800951509339E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  2.845434168189331E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  7.328219324653502E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  1.169249437599619E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  9.211226439490533E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  1.596255559864673E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  6.756518850206468E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.273767820733482E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  4.223308401768617E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  4.911874681577830E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  8.005586313383290E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  1.383695494725597E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  5.541271862447553E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  9.727567197861746E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  1.076048632857497E-003
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  6.783997174877589E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  1.175913981718239E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  6.214502726149634E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.190241334429598E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  5.606725668378864E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  5.967533535174076E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  1.073116362431332E-003
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  1.502114105077153E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  6.177935339502734E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.287295206065411E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  1.489394302984660E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  1.038413358187036E-003
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  3.153456370068106E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  2.845434280320518E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  7.328220183309063E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  1.169249356230225E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  9.211226229694409E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  1.596255558482266E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  6.756518747209620E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.274495838022641E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  4.223308196400399E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  4.911873257913455E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.483585969022949E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.714840765766794E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.731273610345041E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  1.841378200547629E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.111123683967145E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  4.693186180466842E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.377189987844374E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.252571560114241E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.918812974104227E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.304999309803517E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.490423734917245E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.986198264203256E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.023067536493580E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  5.123602754005674E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.907526421050220E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.104845522089783E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.207857429650052E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.255792367001720E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.199333608967416E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.922037515858356E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.283971313339657E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  7.359599901754646E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.522412937457911E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  4.649204338460643E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.177234431843035E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.966056553938812E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.922972906215065E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.292155599820980E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  3.101664301356710E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.797620630726192E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.432123385327046E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.654752608373842E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.347746233622532E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.124348260235675E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.051873389205797E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  6.702839121469450E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.311849463697504E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.234655432618782E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  1.954675955508031E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.518957560169624E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  1.723282518946853E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.110056146755678E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.168379331745596E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  9.893040297932777E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.422891534884047E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.653637935087976E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  1.787490660147606E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.506076704063401E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  5.690269706670872E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  5.802751939174448E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  4.915542520140658E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.444748841003277E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.232439352795168E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  4.813700801890146E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.262236024585957E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  1.481342769654108E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.574922029564525E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.347801710145269E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.055886077190209E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.041235901142402E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  6.280748769172953E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  9.011261513859158E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.096564751203849E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  6.100564806958699E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.794628512679682E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  6.439354880122415E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.452163713679427E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  7.482957837568347E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.494342240594491E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  8.636816129448472E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.369755282406026E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.822704597222037E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  5.028374481987749E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  8.946036447105711E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  1.549051149170886E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.293462072924544E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.008125213051010E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  2.906264909138171E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  2.465589847241221E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.167661602887970E-003
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.284286000614865E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  2.413550561522548E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  4.169632605235508E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  7.411158918330549E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  3.728939472866207E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  6.745254529090963E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  4.259112142659967E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  2.940094437468205E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  3.142307413519484E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  5.580758444853779E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  3.050977505998070E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  5.287260840394371E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  3.222894526998723E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  2.865075195846670E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  9.013568055556192E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  5.444296907904745E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.494341844157898E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  8.636816008808040E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.369755270808455E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.821911434135680E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  5.028373368007682E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  8.946036099492110E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  1.549051414511957E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.293462054964585E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.008007185864652E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  2.906264899675257E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  2.465589818777097E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.167661471792673E-003
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.284286072051592E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  2.413550443118230E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  4.169632932487578E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  7.411158737324460E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  3.730079076762924E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  6.745254420677724E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  4.259110482800596E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  2.938664239055041E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  3.142307372819082E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  5.580758899448856E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  3.050977489568779E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  5.287260238898520E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  3.222894459890938E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  2.864062847615297E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  9.013567909360619E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  5.444296840874073E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  2.863812920339425E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.667751875678727E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  6.734134580459872E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  1.435503860002991E-004
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  4.086352396737837E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  2.933095056915359E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  4.102515459541087E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  7.247685194379882E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  1.315734166561886E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  2.751890740218672E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  2.972816790097900E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  1.685727184412505E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  4.568256256297701E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  9.536182992589482E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  7.389930325483471E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  4.911216718020431E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  3.966482837772706E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.128931924873724E-004
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  1.338810674869542E-004
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  2.604534968775019E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  3.431116490107905E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  4.570568403219059E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  4.444508420888517E-004
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  1.928345506676609E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  2.280024613446534E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  1.412900505847001E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.535490536320685E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  2.787471032942340E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  2.343459217254930E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  9.485295320308366E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  2.189531066087516E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  6.992925020173502E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  4.314524209503677E-004
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  3.856269141241312E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  1.390614481361212E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  3.391220329065509E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  2.033195538014024E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  3.157904260455862E-004
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  4.239954848627250E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.754326756800314E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  3.028910522550310E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  7.244006278877795E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  6.172809480232735E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  2.918635269635342E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  1.754981561514300E-004
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  2.953287318321643E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  4.495717904992923E-004
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  9.571031218391905E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  4.305043916484606E-004
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  1.443291630650611E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  2.005099706703743E-004
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  2.677762747114895E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.423949358097182E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  1.664550496318063E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  2.441948333154838E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  4.575099336873665E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  5.629769946696412E-004
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  5.116713996791107E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  2.277686183345775E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  3.363534985367169E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  2.064433699586178E-004
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  7.998641873276281E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  1.883724134261244E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  1.701749887179771E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  3.465967798260077E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  6.970792790636852E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  5.205213114762049E-004
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  2.391276486173074E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  1.390613933347599E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  3.391220160197458E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  2.033196246190946E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  3.157902859756395E-004
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  4.239954541058155E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.754326120125968E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  3.028910126437904E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  7.244004283809193E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  6.172806459472188E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  2.918634060374601E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  1.754981391728967E-004
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  2.953284413537286E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  4.495717419351325E-004
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  9.571044544361911E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  4.305043381320817E-004
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  1.443291571803003E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  2.005097391299363E-004
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  2.677760650470002E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.423948991231675E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  1.664548936826730E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  2.441948103440169E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  4.575107340473364E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  5.629769346238053E-004
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  5.116711741131078E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  2.277684208180221E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  3.363534575742558E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  2.064432418902264E-004
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  7.998646944078280E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  1.883723953107498E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  1.701748536051497E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  3.465967426050883E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  6.970783797288499E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  5.205212550887336E-004
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  2.391274778670454E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  2.863812472273242E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.667745073845296E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  6.734133574956059E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  1.435504420771058E-004
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  4.086352074205873E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  2.933093926875008E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  4.102514845464691E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  7.247686196180655E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  1.315735547679956E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  2.751891910307168E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  2.972816440917543E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  1.685724200376800E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  4.568255638292596E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  9.536169464888823E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  7.389929691466047E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  4.911216198379055E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  3.966484632475862E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.128933324445388E-004
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  1.338810514283746E-004
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  2.604533808257957E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  3.431116145011881E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  4.570560252866372E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  4.444507900284236E-004
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  1.928343763888535E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  2.280026223714899E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  1.412900311133773E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.535491396413599E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  2.787470305899358E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  2.343458955165603E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  9.485305548064850E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  2.189530870395770E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  6.992933056647837E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  4.314523734458777E-004
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  3.856267476455084E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  3.867627955570238E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  5.426984229548572E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.848692386992293E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  3.474877971711839E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  4.063853597328608E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  1.837349334097605E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  4.703109012289417E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  1.555891506621149E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  7.249950462475867E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  6.691066230395630E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  5.161666034671783E-004
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  2.356616680597816E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  2.444588180097030E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.304660580044964E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  9.564922837428532E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  3.361517526650534E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  3.928262308197092E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  5.796910395623554E-004
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  3.331370277583871E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  2.285457801703330E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.841206381624653E-004
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  1.356126883728483E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  4.596243308416293E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  1.411174581974708E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  3.473160173388846E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  2.278189508707421E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  3.464571819891479E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  5.486249905079965E-004
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.247372901245359E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  7.406380518626625E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  2.406950031793761E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  1.458404796095221E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  6.981089251310773E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  1.072416751375739E-004
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.217722945948747E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  3.867627009503422E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  5.426986317030769E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.848692395050304E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  3.474883532980740E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  4.063852338082833E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  1.837349530493498E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  4.703109392469877E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  1.555891650326444E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  7.249951900730061E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  6.691063542681486E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  5.161664812811196E-004
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  2.356616719858309E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  2.444586876059970E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.304660611784573E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  9.564909893406812E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  3.361517672716051E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  3.928262390653080E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  5.796908303687660E-004
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  3.331368214106068E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  2.285457776385844E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.841206493140635E-004
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  1.356126962604514E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  4.596235134987964E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  1.411174444274915E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  3.473158292189676E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  2.278191284552699E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  3.464571811966445E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  5.486248804652965E-004
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.247373586716449E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  7.406381099733995E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  2.406948725854991E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  1.458404718930236E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  6.981097720539097E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  1.072416606918860E-004
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.217723807056010E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  3.737277145116807E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.096230753690857E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.251932666529944E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  4.497412631106497E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  3.019888815028155E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  4.012760412994314E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  9.820896456202489E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  3.209272892859559E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  2.966450887549477E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.958286228487140E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.254022072498744E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.157711989800986E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  7.756367116570159E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.504425080634413E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.883161373754692E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.368319421178384E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  2.101360641797873E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  1.367909715022875E-004
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  5.130902145880916E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  3.286460310231234E-004
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.811800406235462E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  5.107972569952238E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.451913637634102E-004
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  9.788203913937524E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  2.735732562876254E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  1.489553244648355E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.998600279479316E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  5.682311602286292E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.679117177745443E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  1.956895647402034E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.638072072995281E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.276121539442224E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  3.161793402231954E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.426696747515161E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  2.502400336570944E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.244314639504454E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  2.266362704500411E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.362857471823751E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  3.869268041835286E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  6.929969233950553E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.206471848829765E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  2.240724830935310E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  3.019421456296663E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.573191940187539E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  4.893755291518532E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  8.526721894597388E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.490551170101611E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.931150550714169E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  1.857138675122976E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.612865028035065E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  3.902392143755477E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  6.790980825875443E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  9.340025455021761E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.326515873293219E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.068927298576987E-004
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  6.857292641428116E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  2.614000355267179E-004
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  3.282802892875217E-004
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  2.379078845638993E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  2.544737507745452E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.453089537920815E-004
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  4.430899111555033E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  1.371482040402905E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.411641566300925E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.499386789838924E-004
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  1.191750598982080E-004
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.307305068067838E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  9.811165713244339E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.005581052176239E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  2.189316203465077E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  1.588139945002619E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  2.765368172403296E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  1.262752726420775E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  2.624785156926825E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.152572716010253E-004
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  1.698713265561281E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  3.869261422710718E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  6.929969209922605E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.206470656845718E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  2.240724821272483E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  3.019421336213002E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.573192127962443E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  4.893755267002322E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  8.526721589818132E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.490551150001098E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.931212349129878E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  1.857136263249542E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.612865000494567E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  3.902392071379051E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  6.790975978147485E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  9.340025323923895E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.327687399176142E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.068927307479070E-004
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  6.857292924444552E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  2.614000428954920E-004
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  3.282802729198874E-004
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  2.379079100367609E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  2.544737479599968E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.453089488061010E-004
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  4.430899034009166E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  1.371482067044072E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.411670514462702E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.499386870252000E-004
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  1.191750703392593E-004
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.308542355826738E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  9.811165652227873E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.005577881288078E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  2.189313624778980E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  1.588139909103919E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  2.765367633854816E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  1.262752716084648E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  2.611727155279941E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.152572726614424E-004
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  1.698710442806526E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.180553347827778E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  5.274089372641543E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.691854342147006E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.326787181150675E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.527646938154863E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  2.177794579100819E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.859495830265660E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  4.719702560355421E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.136738624710886E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.100917981811336E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.313810670893365E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.731148735321004E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  7.774768495611475E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.314321195337906E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.990201446681310E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.388518968367159E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  7.634994293547412E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  2.489987001533584E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.557843121153924E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.496802138513952E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.379188978667801E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  6.806185493109337E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.458985234985243E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  9.628401269739951E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.834548175648734E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.377379189398135E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.323261174608372E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.159222842487593E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  6.865482108882409E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.673450872711750E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.961161453464622E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.072580973585357E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  8.606356662777096E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  6.821119785229400E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.223398445281233E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  6.500833242506981E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.073537822725966E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  4.227217886409740E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  7.076848495852854E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.445872332312807E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  1.028158273781117E-010
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.084765575021152E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  6.731081190937221E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.257939187103136E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.225729458111051E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.120841840642892E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.783194787327320E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.459972794301173E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.593916253013592E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  1.634780186873068E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.420096370615444E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.435567426196894E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.653943158562762E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.069816071427390E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  2.174516004861527E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.349413735151285E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.683069578354802E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.222319695399484E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  1.175383112751246E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.490198526991452E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.943779469244653E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  2.237996860471786E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.000742939004372E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  1.426541773509013E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  2.471624244157312E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.542058438376450E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  2.080532638068473E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  8.179886209811080E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  1.417126969725458E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  1.681564687996532E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.239414556448879E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  4.190888361068891E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.087892023127122E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  1.019040437561838E-003
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  1.375568112812927E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  5.876157137358638E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  1.658240425849773E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  1.186623748831426E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  1.883498105201995E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  2.237996712310502E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.000349533938785E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  1.426541733497937E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  2.471624319569579E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.536395754817705E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  2.080532578934626E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  8.179885952387339E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  1.417126937532099E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  1.681564630159270E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.239129458331997E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  4.189727963935003E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.087892009422410E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  1.019040411686501E-003
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  1.375568065508295E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  5.876157002695495E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  1.657833297095786E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  1.186623709977854E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  1.883498182460387E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  3.936206071020457E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  5.114902909354203E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  7.859253822835100E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  2.342999085630938E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.390863626583527E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  2.425565445267134E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  3.743347938980359E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.482819631857290E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.320433152318432E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.127045316147818E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  2.102507180027168E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.471687072998360E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  1.447164779496882E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.904200539433052E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  1.936848784284227E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  3.986925145308545E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  1.859941453754852E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.776540542129581E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  6.035260727315764E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  5.764128350826884E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  3.133046001549626E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  3.279081012603529E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  5.998389958512597E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.352098662574963E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  9.872800025213750E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  5.904576314453020E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  5.131616431674909E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  2.226824519466127E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.699342628266502E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.827151213333820E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.994434783961592E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  2.342662980396872E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  9.418003946399115E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  2.426728766377036E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  1.778983051642065E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  4.916570259061825E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  1.676064194508420E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.251786785950076E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  1.050640206483228E-003
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  1.819373404647391E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  7.226691580219571E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  2.928445995517177E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  9.675911535965176E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.155988984991288E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  1.860333105461275E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  6.036974571489342E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.024897481783677E-003
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.084935891898920E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  5.218523576850653E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.388117744201862E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.582249149926471E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  1.926809768930863E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  2.949585457424013E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  5.122074996263756E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.112941638157742E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.341225197795105E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  9.132401674499845E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  2.404567178704625E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  2.342662910028491E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  9.418003662942380E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  2.426728705430788E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  1.778983005270184E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  4.916502229009282E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  1.676064303789359E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.251786817679753E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  1.050640177406546E-003
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  1.819373540274012E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  7.226691558316682E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  2.929166384265825E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  9.675911395715396E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.155988950050654E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  1.860333055565994E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  6.036974312463750E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.024897448265268E-003
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.084921512857330E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  5.219877682531247E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.388117717720083E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.582249386787060E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  1.926809813089556E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  2.949585206860398E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  5.122076411452467E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.112941616910212E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.341027033204177E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  9.132401367993256E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  2.404567433165138E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  1.999315430454203E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.426197883998817E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.700944996787109E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  5.829482536664505E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.327880198228925E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  4.022350319840463E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.020042534133053E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  4.726060139112527E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.294822200781736E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.119710927856943E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.254940066232451E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.606599371722743E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.804312709695567E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  6.494980511579838E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.969366872354577E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  2.460581960924135E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.843347134038866E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  9.413459347317144E-007
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  1.783474442255443E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  9.124285735263950E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.426175437380448E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.234084930502293E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.810939233117311E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.252890719660983E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.492078738154184E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.298354981910545E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.340700554643313E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171111320471818E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  7.475259539392242E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.031884179147261E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.065856594840771E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  5.768985350923026E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.755032715408384E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.468678765026130E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.461463931601186E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.102890098240051E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.315430407537854E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  2.067470895413391E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.834198884773521E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.845926167089738E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.234459771844183E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  1.636334997055173E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.134094793281110E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  4.491962201603640E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.408626955606588E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.769864755875298E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  1.367764702036038E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  4.934093836921194E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.252030863790735E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  6.529860923952502E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.145414607581913E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  1.160060388016544E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  1.033656406464478E-010
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  3.010279792760070E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  3.973007510636473E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  1.220033736139175E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  8.574585646175054E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  3.333366283824445E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.386543240036687E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  5.420051557903377E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.189226813551558E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  5.082322192690026E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  1.839560078825730E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.489386900192257E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  1.368262595975980E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.648313505315211E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  8.327993940708210E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  2.058854585262376E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  8.188852493777213E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  1.415365811595696E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  5.983361606779242E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  9.922537522086344E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  1.082794880100471E-003
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  6.833059703831097E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  1.184384680626620E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  6.254217958907277E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.391632185205329E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  5.718055248418577E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  5.775623144611925E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  1.057715917895500E-003
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  1.505038569559214E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  6.088552431251116E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.359319171918076E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  1.477494508118966E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  1.005293563443918E-003
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  3.443508513375602E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  2.715924349009423E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  7.217797788158548E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  1.184060861466148E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  9.193579771854679E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  1.593259750138867E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  6.842641598557722E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  3.531084375444315E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  4.159735504493603E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  4.687755584739065E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  8.188851860751415E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  1.415365760598145E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  5.983430956928917E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  9.922537801840669E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  1.082794941214781E-003
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  6.833059420389793E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  1.184384798929740E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  6.254217668667288E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.391796558953546E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  5.718054925570799E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  5.775622990846267E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  1.057715956849609E-003
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  1.505038527039813E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  6.088552416791502E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.359345320468803E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  1.477494471927799E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  1.005293598956077E-003
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  3.444173727231605E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  2.715924417852438E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  7.217798568517494E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  1.184060780381880E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  9.193579531799574E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  1.593259744661430E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  6.842641469982108E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  3.531802723073040E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  4.159735309162148E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  4.687754260723313E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  7.242698743490828E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.317876611730363E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.868634801096743E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  1.895680204187202E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.193375514801691E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  4.223847805740700E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.943032969010233E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.222666725438268E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.076656623238964E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.416399495274179E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.663714930269571E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.052947051660356E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.019101552740760E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  4.741051458712198E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.912023581955971E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.088090989675954E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.227633578117329E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.283929268136615E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.180716970132733E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.087045313691244E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.779638341472235E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.390602918338173E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.211745446915312E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  4.396160300984445E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.236915817646258E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.963559335593680E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.669963396447787E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.291650583865212E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  3.125213644964726E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.427631805739776E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.524566411174584E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.604093710615570E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.664957319593206E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.106402713591071E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.055250602676799E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  6.908602262164540E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.398696455267502E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.246370513934814E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.919168435715759E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.251261943835446E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  1.703957006623993E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.591327163645936E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.209549209574210E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  9.101204681541532E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.400995910808644E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.670770944171690E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  1.770986354692778E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.448433605431822E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.244755137682516E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  5.470875275340308E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  4.396595174690680E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.461242952411171E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.233518822996641E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  4.536601108105527E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.221524205555741E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  1.501252165744598E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.559311701126243E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.274386930709713E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.067147265842391E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.008123442370892E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  6.254360987508524E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  9.303393429452131E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.075597749995814E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  5.995512589735511E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.732471933600772E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  6.334979234402286E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.269009248380506E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  7.281702012500678E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.477646955648666E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  8.537571412203388E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.387479677953061E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.703825309104861E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  4.741069071060671E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  8.864508689098268E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  1.534776801276468E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.268395964695975E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  9.556873808991036E-007
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  2.740016259297558E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  2.206010113017720E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.104111130442051E-003
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  1.301591423273896E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  2.275734355059157E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  3.929598393099158E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  7.510612699118454E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  3.665717389104276E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  6.379070293245574E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  3.809856102623571E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  2.832271628624883E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  3.129145475776287E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  5.490602063659636E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  2.998394556637147E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  5.196429788600831E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  3.171097776626160E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  2.734096951883006E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  8.675463661082019E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  5.421641411637478E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.477646569962313E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  8.537571265297775E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.387479663585434E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.703123325515831E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  4.741068207857634E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  8.864508346988247E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  1.534777056158004E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.268395948497247E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  9.555818320757908E-007
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  2.740016249148431E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  2.206010102811008E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.104111002304444E-003
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  1.301591496153662E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  2.275734248527249E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  3.929598741768856E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  7.510612509862136E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  3.666849273872989E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  6.379070211624721E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  3.809854553096651E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  2.830884919440247E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  3.129145435279824E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  5.490602480483428E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  2.998394541279041E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  5.196429233486254E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  3.171097709860340E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  2.733133126603883E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  8.675463536374594E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  5.421641307447207E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.974896660124561E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  2.746257674756093E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  4.062361553882846E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.095768717444370E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  3.274865811612224E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.510354639379194E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  3.917912421816079E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  7.143399937550648E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.493526309541719E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  2.643939252620716E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  2.902038919705658E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  1.080140791933599E-004
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  4.126621027427911E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  8.476799874605759E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  6.538827543267805E-004
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  4.016925382585659E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.433471780655946E-004
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  1.094931751001358E-004
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  1.033467088184282E-004
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  2.280928964249093E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  2.794158753876902E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  4.157157135574755E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  3.699283143477077E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  2.139015390802246E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  2.230805754888252E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  1.193275860798063E-004
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  2.737306089441498E-004
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.237344243814475E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.013000002552392E-004
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  8.959825461762191E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  1.873474652912501E-004
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  7.191782225521695E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  3.678694158624509E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  3.558700920975874E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.241541359923397E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.458612275694068E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  2.101203032886187E-004
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  3.378313423812270E-004
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.201448222423584E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  2.386743364035985E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  2.325188108931515E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  7.141724099877660E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  5.733981475675309E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  2.713042004610727E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  1.699968730495370E-004
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  2.605996110647115E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  4.113897684329916E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  8.497732085585753E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  3.519374395727055E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  1.064442628523299E-004
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  1.616082436599356E-004
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.219600911025986E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  2.094688716351225E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  1.395848558395299E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  2.038813095176151E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  4.159965127759307E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  4.801712602132837E-004
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  4.467520908469220E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  2.229168668096184E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  3.126939323525377E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  1.907180973183877E-004
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  7.745216125128974E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  1.686463883354567E-004
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.433443728350939E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  2.826639614204326E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  7.172970958709604E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  4.194093226504341E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  2.115226399518502E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.241540803810961E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.458612156421001E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  2.101206477853215E-004
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  3.378311938080360E-004
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.201447918279821E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  2.386742435088708E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  2.325187727523588E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  7.141722123053811E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  5.733978521816783E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  2.713040752584997E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  1.699968610641443E-004
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  2.605993405278372E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  4.113897213755931E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  8.497744557907803E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  3.519373888038674E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  1.064442533955158E-004
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  1.616080223012692E-004
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.219598927115202E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  2.094688350838707E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  1.395846991596022E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  2.038812878314558E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  4.159969750858708E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  4.801712031287579E-004
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  4.467518660188803E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  2.229166705880208E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  3.126938920396001E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  1.907179678200385E-004
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  7.745221650496089E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  1.686463706955615E-004
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.433442379178601E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  2.826639255840168E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  7.172961681660356E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  4.194092692688482E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  2.115224713200476E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.974896374035490E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  2.746263436366462E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  4.062360338966013E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.095768794410353E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  3.274865460002546E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.510353324174943E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  3.917911792186070E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  7.143400750978507E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.493526614924457E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  2.643940317862059E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  2.902038570916238E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  1.080138413196171E-004
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  4.126620400595616E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  8.476787121683099E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  6.538826931204423E-004
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  4.016924841267516E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.433473652775610E-004
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  1.094933019391986E-004
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  1.033466927492465E-004
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  2.280927728577569E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  2.794158399846289E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  4.157152139996051E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  3.699282639037805E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  2.139013586259350E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  2.230807294953849E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  1.193275667364094E-004
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  2.737306956185017E-004
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.237343551099797E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.012999735774901E-004
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  8.959835251449811E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  1.873474457445869E-004
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  7.191790383416315E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  3.678693691634573E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  3.558699260798464E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  3.468942865795348E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  6.924327112199235E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.910997814754461E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  3.524787615304487E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  3.533220015023703E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  2.502781560922593E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  4.115152123751428E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  2.034478571471388E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  7.141386522430061E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  5.699435016298446E-004
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  4.664770917631253E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  1.736277754726510E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  2.528759971146243E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.475333550982875E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  8.505241347601047E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  3.495224761908746E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  3.695560606252485E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  4.890705175534016E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  2.713957893027819E-004
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.993043776852834E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  1.528072939367240E-004
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.242209553711575E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  4.164382724583173E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  1.285190016318561E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  2.597299510235345E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  2.227729289575622E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  3.153166171692168E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  4.536237450897504E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  2.694705153253699E-004
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  6.212324274447268E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  2.104124188470218E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  1.159985537296781E-004
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  7.175165131031175E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  7.494548720434014E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  2.049000775908840E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  3.468941698489069E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  6.924330665373974E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.910997705891231E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  3.524785313222605E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  3.533218668067027E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  2.502781742812315E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  4.115152758762617E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  2.034478677131064E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  7.141387904053354E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  5.699432403457821E-004
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  4.664769719928232E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  1.736277807143143E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  2.528758316366189E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.475333579524041E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  8.505228902365487E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  3.495224953806962E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  3.695560670953741E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  4.890703084779105E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  2.713955882280870E-004
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.993043716593330E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  1.528073269808542E-004
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.242209626624833E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  4.164377664851285E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  1.285189831578288E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  2.597297729744702E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  2.227731036934877E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  3.153166139041543E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  4.536236349476670E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  2.694705831761320E-004
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  6.212324882324720E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  2.104122911822050E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  1.159985451066412E-004
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  7.175173906185964E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  7.494547499946453E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  2.049001720684811E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  3.895115922897476E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.727066949909086E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.646701151480577E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  2.822570181470086E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  2.203286259611377E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  3.153438707189642E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  9.050226054061965E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  2.660688032090379E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.907860114584674E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  1.950211788196487E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.265403899999212E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.325154887174866E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  7.533985525590591E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.570610430747912E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.133852480941072E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.974107326104425E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.839652104004922E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  1.132349505747834E-004
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  3.483266415680220E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  2.560896082070811E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.654073905421976E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  4.798960292264776E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  1.179449685316843E-004
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  8.607533127000371E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  2.222882121772867E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  1.172786128199394E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  2.185330043460334E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  4.595420538560872E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.567253232176555E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  1.460142841591665E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.669325756965314E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.292276081987080E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  3.162353518135888E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.418169874104580E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  2.449916934136775E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.161361984228600E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  2.135657800369097E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.327611914650351E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  2.429528005452489E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  6.801523689261303E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.184346204718017E-003
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  1.404862017798416E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  2.203537963828769E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.519501486862005E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  4.509665498461400E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  7.861221705125754E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.463041214513913E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.920752860330012E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  1.636574920649487E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.830240065163668E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  3.796640171962907E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  6.608749508994288E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.059083444003258E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.412664737655322E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  9.412651925182360E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  5.679230928202008E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.909711123297798E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  2.558097689546466E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  1.934508061766517E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  2.390757614502253E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  1.179607930646178E-004
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  4.163896731020379E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.115041406446163E-004
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  2.799891802429401E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  1.092627074736213E-004
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  9.872994055085317E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  4.387431160923032E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  7.335682093132751E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.896661598018134E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  2.146512101602645E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  1.589934907142253E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  2.768872760531083E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  1.237855856378641E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  2.550645285752639E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  1.089580188145871E-004
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  1.271081125622083E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  2.429522160570270E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  6.801523987838659E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.184344987200133E-003
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  1.404861881522798E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  2.203537864467273E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.519501712208128E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  4.509665440203438E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  7.861221414105763E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.463041257557352E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.920835571059552E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  1.636572650384923E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.830240112407782E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  3.796640156108423E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  6.608744694868433E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.059083441931770E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.413759106878370E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  9.412652258316665E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  5.679231398474220E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.909711239213381E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  2.558097542177774E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  1.934508338813926E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  2.390757577338614E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  1.179607886144800E-004
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  4.163896650095484E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.115041461199725E-004
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  2.799707902304287E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  1.092627178756814E-004
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  9.872995172424090E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  4.388523742889789E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  7.335682016003818E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.896658422278638E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  2.146509541573361E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  1.589934895245037E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  2.768872462049427E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  1.237855876038492E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  2.538205195134434E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  1.089580235729188E-004
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  1.271078418602332E-004
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6845.19595883 p = -3229.38240256
                                d =  -844.78159003 f =   -24.05219472
       valence  contribution :  s =    -0.10395975 p =    -0.02658977
                                d =    -0.69587095 f =    -0.00247804
                                ns      0.00550768
     single particle energies  spin  up    
         core   contribution :  s = -6845.73995994 p = -3230.68601920
                                d =  -845.86909220 f =   -24.81400899
       valence  contribution :  s =    -0.12885624 p =    -0.03349853
                                d =    -1.10087318 f =    -0.00304416
                                ns      0.00746451
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21892.60342490
                                   band energy per atom :   -2.0821984173

     coulomb  contribution :   0  13950.84160838  1     -0.00324561
                               2     -0.00072003  3     -0.00127495
                               4      0.00231635  5     -0.00102168
                               6     -0.00003260
     --------------------------------------------------------------------
     tot. coulomb contribution :  13950.83762988

     ex.-cor. contribution :   0   -676.92154633  1      0.00996941
                               2      0.00255536  3     -0.00607222
                               4     -0.00753505  5      0.00225920
                               6      0.00004153
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -676.92032810

     eff. pot. contribution     : -27022.47649617
     total double counting contribution                 : -13748.55919439

   Total contribution of atom  1 =-35641.16261928
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08322426 p =    -0.09715246
                                d =    -0.04415291 f =    -0.01477879
                                ns      0.04203478
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09853935 p =    -0.11503825
                                d =    -0.05458052 f =    -0.01976647
                                ns      0.05234394
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.43285428
                                   band energy per atom :   -0.4328542805

     coulomb  contribution :   0     -0.03745180  1      0.00894912
                               2      0.00585299  3     -0.00053047
                               4     -0.00342548  5     -0.00019889
                               6     -0.00008718
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.02689171

     ex.-cor. contribution :   0     -0.69257434  1     -0.00063342
                               2      0.05316941  3      0.01045497
                               4      0.02000029  5      0.00413223
                               6      0.00051595
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60493490

     eff. pot. contribution     :     -0.46454974
     total double counting contribution                 :     -1.09637635

   Total contribution of atom  2 =    -1.52923063
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08315383 p =    -0.09706130
                                d =    -0.04411980 f =    -0.01476601
                                ns      0.04196411
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09845965 p =    -0.11492727
                                d =    -0.05453432 f =    -0.01974821
                                ns      0.05225553
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.43255074
                                   band energy per atom :   -0.4325507435

     coulomb  contribution :   0     -0.03778665  1      0.00898684
                               2      0.00588878  3     -0.00053226
                               4     -0.00341287  5     -0.00019675
                               6     -0.00008667
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.02713958

     ex.-cor. contribution :   0     -0.69202190  1     -0.00064611
                               2      0.05310627  3      0.01044173
                               4      0.01995490  5      0.00412696
                               6      0.00051403
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60452412

     eff. pot. contribution     :     -0.46436008
     total double counting contribution                 :     -1.09602377

   Total contribution of atom  3 =    -1.52857452
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08315383 p =    -0.09706130
                                d =    -0.04411980 f =    -0.01476601
                                ns      0.04196411
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09845965 p =    -0.11492727
                                d =    -0.05453432 f =    -0.01974821
                                ns      0.05225553
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.43255074
                                   band energy per atom :   -0.4325507449

     coulomb  contribution :   0     -0.03778666  1      0.00898684
                               2      0.00588878  3     -0.00053226
                               4     -0.00341287  5     -0.00019675
                               6     -0.00008667
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.02713959

     ex.-cor. contribution :   0     -0.69202190  1     -0.00064611
                               2      0.05310626  3      0.01044172
                               4      0.01995490  5      0.00412696
                               6      0.00051403
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60452413

     eff. pot. contribution     :     -0.46436007
     total double counting contribution                 :     -1.09602379

   Total contribution of atom  4 =    -1.52857454
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04948232 p =    -0.06036700
                                d =    -0.02807442 f =    -0.00913390
                                ns      0.00833164
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05902823 p =    -0.07038791
                                d =    -0.03322254 f =    -0.01126925
                                ns      0.00981504
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30281889
                                   band energy per atom :   -0.3028188904

     coulomb  contribution :   0     -0.03689955  1     -0.00219044
                               2     -0.00053440  3     -0.00000464
                               4     -0.00184808  5      0.00027906
                               6      0.00008586
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.04111219

     ex.-cor. contribution :   0     -0.41769683  1     -0.00008868
                               2     -0.00035498  3     -0.00001087
                               4      0.01738523  5      0.00000584
                               6      0.00111738
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39964292

     eff. pot. contribution     :     -0.44839277
     total double counting contribution                 :     -0.88914788

   Total contribution of atom  5 =    -1.19196677
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04948239 p =    -0.06038104
                                d =    -0.02808266 f =    -0.00913397
                                ns      0.00833286
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05902482 p =    -0.07040139
                                d =    -0.03323210 f =    -0.01126978
                                ns      0.00981623
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30285905
                                   band energy per atom :   -0.3028590544

     coulomb  contribution :   0     -0.03677741  1     -0.00219621
                               2     -0.00053676  3     -0.00000348
                               4     -0.00185371  5      0.00028010
                               6      0.00008570
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.04100177

     ex.-cor. contribution :   0     -0.41768021  1     -0.00008944
                               2     -0.00035281  3     -0.00001130
                               4      0.01738882  5      0.00000598
                               6      0.00111436
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39962460

     eff. pot. contribution     :     -0.44836191
     total double counting contribution                 :     -0.88898827

   Total contribution of atom  6 =    -1.19184733
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04948239 p =    -0.06038104
                                d =    -0.02808266 f =    -0.00913397
                                ns      0.00833286
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05902482 p =    -0.07040139
                                d =    -0.03323210 f =    -0.01126978
                                ns      0.00981623
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30285906
                                   band energy per atom :   -0.3028590551

     coulomb  contribution :   0     -0.03677742  1     -0.00219621
                               2     -0.00053676  3     -0.00000348
                               4     -0.00185371  5      0.00028010
                               6      0.00008570
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.04100177

     ex.-cor. contribution :   0     -0.41768021  1     -0.00008944
                               2     -0.00035281  3     -0.00001130
                               4      0.01738879  5      0.00000598
                               6      0.00111436
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39962462

     eff. pot. contribution     :     -0.44836191
     total double counting contribution                 :     -0.88898830

   Total contribution of atom  7 =    -1.19184735
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07233023 p =    -0.08497734
                                d =    -0.03532048 f =    -0.00950072
                                ns      0.01582231
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08587947 p =    -0.10076247
                                d =    -0.04380762 f =    -0.01258830
                                ns      0.01963438
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.40970994
                                   band energy per atom :   -0.4097099380

     coulomb  contribution :   0     -0.07388933  1     -0.00530079
                               2     -0.00554737  3      0.00446476
                               4     -0.00248917  5      0.00018752
                               6      0.00021989
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08235448

     ex.-cor. contribution :   0     -0.60258171  1      0.00221680
                               2      0.00340708  3      0.00083981
                               4      0.02936222  5      0.00084794
                               6      0.00066163
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.56524623

     eff. pot. contribution     :     -0.44706971
     total double counting contribution                 :     -1.09467043

   Total contribution of atom  8 =    -1.50438037
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.52101578 p = -1089.68004234
                                d =  -190.66377476
       valence  contribution :  s =    -0.46121117 p =    -0.17093909
                                d =    -0.01582722 f =    -0.00487778
                                ns     -0.00262234
     single particle energies  spin  up    
         core   contribution :  s = -2635.95584789 p = -1090.65851081
                                d =  -191.74808357
       valence  contribution :  s =    -0.53697259 p =    -0.22135025
                                d =    -0.01966156 f =    -0.00597756
                                ns     -0.00300004
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.66971475
                                   band energy per atom :   -1.4424396038

     coulomb  contribution :   0   5100.54021849  1     -0.00002612
                               2     -0.00035654  3      0.00178084
                               4     -0.00725450  5     -0.00000713
                               6      0.00007456
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.53442960

     ex.-cor. contribution :   0   -329.13936959  1      0.00000521
                               2     -0.00025425  3      0.00357071
                               4     -0.01868066  5      0.00005032
                               6      0.00036825
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15431001

     eff. pot. contribution     :  -9889.87543527
     total double counting contribution                 :  -5118.49531568

   Total contribution of atom  9 =-12954.16503043
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.52105083 p = -1089.68011914
                                d =  -190.66385553
       valence  contribution :  s =    -0.46116121 p =    -0.17088759
                                d =    -0.01582865 f =    -0.00487981
                                ns     -0.00262406
     single particle energies  spin  up    
         core   contribution :  s = -2635.95588291 p = -1090.65858756
                                d =  -191.74816427
       valence  contribution :  s =    -0.53692286 p =    -0.22127913
                                d =    -0.01966288 f =    -0.00597999
                                ns     -0.00300269
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.66988909
                                   band energy per atom :   -1.4422288566

     coulomb  contribution :   0   5100.52440223  1     -0.00003993
                               2     -0.00035776  3      0.00178481
                               4     -0.00726143  5     -0.00000628
                               6      0.00007469
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.51859632

     ex.-cor. contribution :   0   -329.13893675  1      0.00000435
                               2     -0.00025685  3      0.00356902
                               4     -0.01869308  5      0.00005092
                               6      0.00036856
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15389383

     eff. pot. contribution     :  -9889.85913573
     total double counting contribution                 :  -5118.49443324

   Total contribution of atom 10 =-12954.16432233
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.52105083 p = -1089.68011914
                                d =  -190.66385553
       valence  contribution :  s =    -0.46116121 p =    -0.17088759
                                d =    -0.01582865 f =    -0.00487981
                                ns     -0.00262406
     single particle energies  spin  up    
         core   contribution :  s = -2635.95588291 p = -1090.65858756
                                d =  -191.74816427
       valence  contribution :  s =    -0.53692286 p =    -0.22127913
                                d =    -0.01966288 f =    -0.00597999
                                ns     -0.00300269
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.66988910
                                   band energy per atom :   -1.4422288574

     coulomb  contribution :   0   5100.52440224  1     -0.00003993
                               2     -0.00035776  3      0.00178481
                               4     -0.00726143  5     -0.00000628
                               6      0.00007469
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.51859633

     ex.-cor. contribution :   0   -329.13893673  1      0.00000435
                               2     -0.00025684  3      0.00356890
                               4     -0.01869318  5      0.00005092
                               6      0.00036856
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.15389403

     eff. pot. contribution     :  -9889.85913573
     total double counting contribution                 :  -5118.49443343

   Total contribution of atom 11 =-12954.16432252
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08580997 p =    -0.10596666
                                d =    -0.04892583 f =    -0.01463288
                                ns      0.04924776
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09937568 p =    -0.12028959
                                d =    -0.05625998 f =    -0.01757307
                                ns      0.05752994
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44205596
                                   band energy per atom :   -0.4420559628

     coulomb  contribution :   0     -0.12893095  1     -0.00463220
                               2     -0.01857162  3     -0.00017914
                               4      0.00323240  5      0.00058172
                               6     -0.00004283
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.14854262

     ex.-cor. contribution :   0     -0.65027818  1     -0.00146677
                               2      0.04947946  3      0.00854782
                               4      0.01899482  5      0.00385736
                               6      0.00028723
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57057826

     eff. pot. contribution     :     -0.41162349
     total double counting contribution                 :     -1.13074437

   Total contribution of atom 12 =    -1.57280033
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69093168 p = -1151.06237102
                                d =  -209.52528823
       valence  contribution :  s =    -0.60410856 p =    -0.22013805
                                d =    -0.01371041 f =    -0.00362384
                                ns      0.00131122
     single particle energies  spin  up    
         core   contribution :  s = -2756.12592237 p = -1152.04123841
                                d =  -210.61037708
       valence  contribution :  s =    -0.67953077 p =    -0.29524959
                                d =    -0.01449345 f =    -0.00368883
                                ns      0.00124384
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.88811722
                                   band energy per atom :   -1.8319884477

     coulomb  contribution :   0   5299.50491877  1     -0.00498157
                               2     -0.00095537  3     -0.00407339
                               4     -0.00482891  5      0.00041551
                               6      0.00002159
     --------------------------------------------------------------------
     tot. coulomb contribution :   5299.49051663

     ex.-cor. contribution :   0   -339.68527896  1      0.01213553
                               2     -0.00317913  3     -0.01481461
                               4     -0.01438056  5      0.00224019
                               6     -0.00001613
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.70329367

     eff. pot. contribution     : -10303.21988794
     total double counting contribution                 :  -5343.43266499

   Total contribution of atom 13 =-13580.32078221
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69098590 p = -1151.06249249
                                d =  -209.52542180
       valence  contribution :  s =    -0.60409286 p =    -0.22013430
                                d =    -0.01370929 f =    -0.00362407
                                ns      0.00130960
     single particle energies  spin  up    
         core   contribution :  s = -2756.12597656 p = -1152.04135985
                                d =  -210.61051062
       valence  contribution :  s =    -0.67951513 p =    -0.29524252
                                d =    -0.01449218 f =    -0.00368901
                                ns      0.00124166
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.88869533
                                   band energy per atom :   -1.8319480988

     coulomb  contribution :   0   5299.50366826  1     -0.00497038
                               2     -0.00095931  3     -0.00406665
                               4     -0.00483229  5      0.00041640
                               6      0.00002161
     --------------------------------------------------------------------
     tot. coulomb contribution :   5299.48927764

     ex.-cor. contribution :   0   -339.68522204  1      0.01213534
                               2     -0.00318875  3     -0.01477750
                               4     -0.01438874  5      0.00224143
                               6     -0.00001606
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.70321634

     eff. pot. contribution     : -10303.21780760
     total double counting contribution                 :  -5343.43174629

   Total contribution of atom 14 =-13580.32044162
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69098588 p = -1151.06249249
                                d =  -209.52542180
       valence  contribution :  s =    -0.60409286 p =    -0.22013430
                                d =    -0.01370929 f =    -0.00362407
                                ns      0.00130960
     single particle energies  spin  up    
         core   contribution :  s = -2756.12597658 p = -1152.04135985
                                d =  -210.61051063
       valence  contribution :  s =    -0.67951513 p =    -0.29524252
                                d =    -0.01449218 f =    -0.00368901
                                ns      0.00124166
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.88869533
                                   band energy per atom :   -1.8319480997

     coulomb  contribution :   0   5299.50366835  1     -0.00497038
                               2     -0.00095931  3     -0.00406665
                               4     -0.00483229  5      0.00041640
                               6      0.00002161
     --------------------------------------------------------------------
     tot. coulomb contribution :   5299.48927774

     ex.-cor. contribution :   0   -339.68522205  1      0.01213534
                               2     -0.00318875  3     -0.01477792
                               4     -0.01438972  5      0.00224143
                               6     -0.00001606
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.70321774

     eff. pot. contribution     : -10303.21780769
     total double counting contribution                 :  -5343.43174769

   Total contribution of atom 15 =-13580.32044302
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70857996 p = -1151.10280530
                                d =  -209.57152007
       valence  contribution :  s =    -0.60932902 p =    -0.22564096
                                d =    -0.01339592 f =    -0.00348648
                                ns      0.00018170
     single particle energies  spin  up    
         core   contribution :  s = -2756.14353117 p = -1152.08156508
                                d =  -210.65641305
       valence  contribution :  s =    -0.68442665 p =    -0.30210434
                                d =    -0.01447309 f =    -0.00370738
                                ns      0.00033683
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.12045996
                                   band energy per atom :   -1.8560453133

     coulomb  contribution :   0   5302.06648049  1      0.00186345
                               2     -0.00139407  3     -0.00408216
                               4     -0.00560278  5      0.00057291
                               6     -0.00001662
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.05782122

     ex.-cor. contribution :   0   -339.75373027  1      0.01197219
                               2     -0.00378654  3     -0.01368873
                               4     -0.01393617  5      0.00203850
                               6     -0.00003364
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77116466

     eff. pot. contribution     : -10305.53230845
     total double counting contribution                 :  -5343.24565188

   Total contribution of atom 16 =-13580.36611184
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70852504 p = -1151.10268145
                                d =  -209.57138241
       valence  contribution :  s =    -0.60931087 p =    -0.22566240
                                d =    -0.01339539 f =    -0.00348608
                                ns      0.00017958
     single particle energies  spin  up    
         core   contribution :  s = -2756.14347621 p = -1152.08144117
                                d =  -210.65627526
       valence  contribution :  s =    -0.68440598 p =    -0.30212903
                                d =    -0.01447283 f =    -0.00370699
                                ns      0.00033474
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.11983679
                                   band energy per atom :   -1.8560552577

     coulomb  contribution :   0   5302.06421764  1      0.00185185
                               2     -0.00138280  3     -0.00408374
                               4     -0.00560057  5      0.00057217
                               6     -0.00001654
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.05555802

     ex.-cor. contribution :   0   -339.75371808  1      0.01197061
                               2     -0.00377516  3     -0.01367542
                               4     -0.01395281  5      0.00203837
                               6     -0.00003355
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77114605

     eff. pot. contribution     : -10305.53098084
     total double counting contribution                 :  -5343.24656887

   Total contribution of atom 17 =-13580.36640566
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70852502 p = -1151.10268145
                                d =  -209.57138241
       valence  contribution :  s =    -0.60931087 p =    -0.22566240
                                d =    -0.01339539 f =    -0.00348608
                                ns      0.00017958
     single particle energies  spin  up    
         core   contribution :  s = -2756.14347622 p = -1152.08144117
                                d =  -210.65627526
       valence  contribution :  s =    -0.68440598 p =    -0.30212903
                                d =    -0.01447283 f =    -0.00370699
                                ns      0.00033474
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.11983680
                                   band energy per atom :   -1.8560552592

     coulomb  contribution :   0   5302.06421777  1      0.00185185
                               2     -0.00138280  3     -0.00408374
                               4     -0.00560057  5      0.00057217
                               6     -0.00001654
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.05555815

     ex.-cor. contribution :   0   -339.75371808  1      0.01197061
                               2     -0.00377523  3     -0.01368057
                               4     -0.01394817  5      0.00203837
                               6     -0.00003355
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77114662

     eff. pot. contribution     : -10305.53098096
     total double counting contribution                 :  -5343.24656943

   Total contribution of atom 18 =-13580.36640623
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70857997 p = -1151.10280531
                                d =  -209.57152008
       valence  contribution :  s =    -0.60932902 p =    -0.22564096
                                d =    -0.01339592 f =    -0.00348648
                                ns      0.00018170
     single particle energies  spin  up    
         core   contribution :  s = -2756.14353117 p = -1152.08156508
                                d =  -210.65641306
       valence  contribution :  s =    -0.68442665 p =    -0.30210434
                                d =    -0.01447309 f =    -0.00370738
                                ns      0.00033683
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.12045997
                                   band energy per atom :   -1.8560453152

     coulomb  contribution :   0   5302.06648075  1      0.00186345
                               2     -0.00139407  3     -0.00408216
                               4     -0.00560278  5      0.00057291
                               6     -0.00001662
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.05782148

     ex.-cor. contribution :   0   -339.75373029  1      0.01197219
                               2     -0.00378653  3     -0.01368199
                               4     -0.01394312  5      0.00203850
                               6     -0.00003364
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77116487

     eff. pot. contribution     : -10305.53230869
     total double counting contribution                 :  -5343.24565208

   Total contribution of atom 19 =-13580.36611205
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70857186 p = -1151.10278701
                                d =  -209.57149974
       valence  contribution :  s =    -0.60932078 p =    -0.22569196
                                d =    -0.01339395 f =    -0.00348564
                                ns      0.00018240
     single particle energies  spin  up    
         core   contribution :  s = -2756.14352309 p = -1152.08154689
                                d =  -210.65639291
       valence  contribution :  s =    -0.68441711 p =    -0.30215698
                                d =    -0.01447105 f =    -0.00370645
                                ns      0.00033702
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.12044601
                                   band energy per atom :   -1.8561245022

     coulomb  contribution :   0   5302.06754105  1      0.00184843
                               2     -0.00138399  3     -0.00407963
                               4     -0.00560493  5      0.00057253
                               6     -0.00001649
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.05887698

     ex.-cor. contribution :   0   -339.75381055  1      0.01196808
                               2     -0.00377366  3     -0.01366673
                               4     -0.01395877  5      0.00203884
                               6     -0.00003351
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77123630

     eff. pot. contribution     : -10305.53351532
     total double counting contribution                 :  -5343.24587465

   Total contribution of atom 20 =-13580.36632065
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70857185 p = -1151.10278701
                                d =  -209.57149974
       valence  contribution :  s =    -0.60932078 p =    -0.22569196
                                d =    -0.01339395 f =    -0.00348564
                                ns      0.00018240
     single particle energies  spin  up    
         core   contribution :  s = -2756.14352310 p = -1152.08154689
                                d =  -210.65639291
       valence  contribution :  s =    -0.68441711 p =    -0.30215698
                                d =    -0.01447105 f =    -0.00370645
                                ns      0.00033702
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.12044601
                                   band energy per atom :   -1.8561245018

     coulomb  contribution :   0   5302.06754092  1      0.00184843
                               2     -0.00138399  3     -0.00407963
                               4     -0.00560493  5      0.00057253
                               6     -0.00001649
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.05887685

     ex.-cor. contribution :   0   -339.75381057  1      0.01196808
                               2     -0.00377367  3     -0.01366997
                               4     -0.01395754  5      0.00203884
                               6     -0.00003351
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77123834

     eff. pot. contribution     : -10305.53351519
     total double counting contribution                 :  -5343.24587668

   Total contribution of atom 21 =-13580.36632269
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66444940 p = -1151.00010022
                                d =  -209.44579887
       valence  contribution :  s =    -0.59286046 p =    -0.20739289
                                d =    -0.01166781 f =    -0.00314297
                                ns     -0.00898874
     single particle energies  spin  up    
         core   contribution :  s = -2756.09941363 p = -1151.97892370
                                d =  -210.53161401
       valence  contribution :  s =    -0.67094889 p =    -0.28727043
                                d =    -0.01273299 f =    -0.00338299
                                ns     -0.00947881
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.52816680
                                   band energy per atom :   -1.8078669717

     coulomb  contribution :   0   5314.14942435  1     -0.00019433
                               2     -0.00308193  3     -0.00001584
                               4     -0.00690077  5     -0.00000028
                               6      0.00001628
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.13924749

     ex.-cor. contribution :   0   -339.79070036  1     -0.00004988
                               2     -0.00927448  3     -0.00068048
                               4     -0.03773605  5     -0.00000035
                               6      0.00016056
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.83828104

     eff. pot. contribution     : -10318.29311043
     total double counting contribution                 :  -5343.99214398

   Total contribution of atom 22 =-13580.52031079
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66443733 p = -1151.00007356
                                d =  -209.44577027
       valence  contribution :  s =    -0.59285799 p =    -0.20739053
                                d =    -0.01166737 f =    -0.00314253
                                ns     -0.00898959
     single particle energies  spin  up    
         core   contribution :  s = -2756.09940154 p = -1151.97889692
                                d =  -210.53158519
       valence  contribution :  s =    -0.67094648 p =    -0.28726528
                                d =    -0.01273319 f =    -0.00338283
                                ns     -0.00947923
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.52801983
                                   band energy per atom :   -1.8078550242

     coulomb  contribution :   0   5314.15199456  1     -0.00019445
                               2     -0.00306959  3     -0.00001605
                               4     -0.00690042  5     -0.00000030
                               6      0.00001627
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.14183002

     ex.-cor. contribution :   0   -339.79076770  1     -0.00004993
                               2     -0.00927375  3     -0.00064861
                               4     -0.03773737  5     -0.00000035
                               6      0.00016059
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.83831712

     eff. pot. contribution     : -10318.29587343
     total double counting contribution                 :  -5343.99236053

   Total contribution of atom 23 =-13580.52038036
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66443736 p = -1151.00007356
                                d =  -209.44577027
       valence  contribution :  s =    -0.59285799 p =    -0.20739053
                                d =    -0.01166737 f =    -0.00314253
                                ns     -0.00898959
     single particle energies  spin  up    
         core   contribution :  s = -2756.09940150 p = -1151.97889692
                                d =  -210.53158519
       valence  contribution :  s =    -0.67094648 p =    -0.28726529
                                d =    -0.01273319 f =    -0.00338283
                                ns     -0.00947923
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.52801982
                                   band energy per atom :   -1.8078550244

     coulomb  contribution :   0   5314.15199459  1     -0.00019445
                               2     -0.00306959  3     -0.00001605
                               4     -0.00690042  5     -0.00000030
                               6      0.00001627
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.14183006

     ex.-cor. contribution :   0   -339.79076765  1     -0.00004993
                               2     -0.00927416  3     -0.00064831
                               4     -0.03774311  5     -0.00000035
                               6      0.00016059
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.83832292

     eff. pot. contribution     : -10318.29587348
     total double counting contribution                 :  -5343.99236633

   Total contribution of atom 24 =-13580.52038615
                                   sum of band energies :  -31.5232662205
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.61593970
                                eV  : -3231100.15855240
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:55:50:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            7
25.03.2020 19:55:50:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   3.219276736260803E-011  1.459312939390082E-007
  0.301654154239356     
 magnetic moment2 is   3.219321509109494E-011  1.459312929770119E-007
 -0.197820360965225     
 magnetic moment is   7.297693916177850E-011  5.735516234842341E-004
  4.048850752157196E-002
 magnetic moment2 is   7.297693916177850E-011  5.735516234842341E-004
 -1.403315465799732E-002
 magnetic moment is   4.990481321738301E-004 -2.855385555000487E-004
  4.049289298335801E-002
 magnetic moment2 is   4.990481321738301E-004 -2.855385555000487E-004
 -1.403372708382783E-002
 magnetic moment is  -4.990481065780923E-004 -2.855386273019953E-004
  4.049289345547902E-002
 magnetic moment2 is  -4.990481065780923E-004 -2.855386273019953E-004
 -1.403372683153770E-002
 magnetic moment is  -1.554725131188567E-011 -6.655804533103568E-004
  4.333232143198307E-002
 magnetic moment2 is  -1.554725131188567E-011 -6.655804533103568E-004
 -1.688865494434934E-002
 magnetic moment is  -5.763191119195162E-004  3.319168686885073E-004
  4.330311528529635E-002
 magnetic moment2 is  -5.763191119195162E-004  3.319168686885073E-004
 -1.691489185333451E-002
 magnetic moment is   5.763192155326027E-004  3.319169275178287E-004
  4.330311654650842E-002
 magnetic moment2 is   5.763192155326027E-004  3.319169275178287E-004
 -1.691489073474248E-002
 magnetic moment is  -1.984098455888231E-011 -9.249196072759339E-007
  4.343048966485208E-002
 magnetic moment2 is  -1.984098455888231E-011 -9.249196072759339E-007
 -1.725321507213143E-002
 magnetic moment is  -2.665605273403232E-010 -1.442785616043737E-003
  0.147266150415404     
 magnetic moment2 is  -2.665720658535237E-010 -1.446140464220994E-003
 -9.858286289128176E-002
 magnetic moment is  -1.252487013986104E-003  7.205293427699078E-004
  0.147244834740350     
 magnetic moment2 is  -1.255393124338664E-003  7.222055059533831E-004
 -9.860507614652778E-002
 magnetic moment is   1.252486938700626E-003  7.205293975944828E-004
  0.147244838698780     
 magnetic moment2 is   1.255393049196571E-003  7.222055606925305E-004
 -9.860507232467924E-002
 magnetic moment is   2.567790177439300E-011 -2.045917323291982E-009
  4.999632815866228E-002
 magnetic moment2 is   2.567790177439300E-011 -2.045917323291982E-009
 -8.343056121867753E-003
 magnetic moment is   9.133828741091088E-011  3.698398753162722E-004
  0.250749184200371     
 magnetic moment2 is   9.133716688796562E-011  3.703711569158244E-004
  1.920616721835891E-002
 magnetic moment is   3.202746055573683E-004 -1.858882777446994E-004
  0.250729432749857     
 magnetic moment2 is   3.207404346465764E-004 -1.861604250436391E-004
  1.918725257080291E-002
 magnetic moment is  -3.202745499100771E-004 -1.858883284620739E-004
  0.250729433132641     
 magnetic moment2 is  -3.207403790785365E-004 -1.861604757571358E-004
  1.918725295870613E-002
 magnetic moment is  -6.394630682589762E-004  9.347825632973024E-004
  0.223862219945932     
 magnetic moment2 is  -6.394226756804984E-004  9.346885689559626E-004
 -6.550693435718763E-003
 magnetic moment is   4.915640136411640E-004 -1.019856784160688E-003
  0.223833155968861     
 magnetic moment2 is   4.915041298882612E-004 -1.019773501942212E-003
 -6.580600307425633E-003
 magnetic moment is  -4.915639091013711E-004 -1.019856557298595E-003
  0.223833157551946     
 magnetic moment2 is  -4.915040253641685E-004 -1.019773275084355E-003
 -6.580598723587530E-003
 magnetic moment is   6.394632490286950E-004  9.347824964527255E-004
  0.223862217880456     
 magnetic moment2 is   6.394228564297278E-004  9.346885021223747E-004
 -6.550695458026431E-003
 magnetic moment is   1.125595556414556E-003  8.550167612807408E-005
  0.223892413472242     
 magnetic moment2 is   1.125491120606572E-003  8.550691610370793E-005
 -6.521160650436397E-003
 magnetic moment is  -1.125595305533417E-003  8.550153233475373E-005
  0.223892417074524     
 magnetic moment2 is  -1.125490869737201E-003  8.550677230860732E-005
 -6.521157091024188E-003
 magnetic moment is  -7.538909779650563E-011 -5.444255903816551E-004
  0.233786097480909     
 magnetic moment2 is  -7.543139989582906E-011 -5.444701477529768E-004
 -1.318550792790968E-002
 magnetic moment is  -4.675656002908842E-004  2.722395346486082E-004
  0.233721185992379     
 magnetic moment2 is  -4.675610791958550E-004  2.722369327672493E-004
 -1.325021126735619E-002
 magnetic moment is   4.675656747302070E-004  2.722396093375271E-004
  0.233721188822891     
 magnetic moment2 is   4.675611536345238E-004  2.722370074564614E-004
 -1.325020844276027E-002
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.40177770  0.43064804    0.0289
          p =  0.10725767  0.13511754    0.0279
          d =  4.08883958  4.33333540    0.2445
          f =  0.00906793  0.01003490    0.0010
          ns  -0.01814012 -0.01867895   -0.0005
          ------------------------------------
          TOT  4.58880277  4.89045693    0.3017
                           9.47925970
   ========================== 
      2   s =  0.23854131  0.25705871    0.0185
          p =  0.31228972  0.32998479    0.0177
          d =  0.16578324  0.17617235    0.0104
          f =  0.06270206  0.06885894    0.0062
          ns  -0.12060632 -0.13287626   -0.0123
          ------------------------------------
          TOT  0.65871001  0.69919852    0.0405
                           1.35790853
   ========================== 
      3   s =  0.23843299  0.25697246    0.0185
          p =  0.31203093  0.32973211    0.0177
          d =  0.16562864  0.17599808    0.0104
          f =  0.06264874  0.06879102    0.0061
          ns  -0.12039156 -0.13265103   -0.0123
          ------------------------------------
          TOT  0.65834974  0.69884263    0.0405
                           1.35719237
   ========================== 
      4   s =  0.23843299  0.25697246    0.0185
          p =  0.31203093  0.32973211    0.0177
          d =  0.16562864  0.17599808    0.0104
          f =  0.06264874  0.06879101    0.0061
          ns  -0.12039156 -0.13265103   -0.0123
          ------------------------------------
          TOT  0.65834974  0.69884263    0.0405
                           1.35719236
   ========================== 
      5   s =  0.15673540  0.17434150    0.0176
          p =  0.20695216  0.22338165    0.0164
          d =  0.10671399  0.11520920    0.0085
          f =  0.03695344  0.04066671    0.0037
          ns  -0.02401542 -0.02692716   -0.0029
          ------------------------------------
          TOT  0.48333957  0.52667189    0.0433
                           1.01001146
   ========================== 
      6   s =  0.15668226  0.17427710    0.0176
          p =  0.20695018  0.22336352    0.0164
          d =  0.10674835  0.11523885    0.0085
          f =  0.03696252  0.04067679    0.0037
          ns  -0.02401574 -0.02692557   -0.0029
          ------------------------------------
          TOT  0.48332758  0.52663069    0.0433
                           1.00995827
   ========================== 
      7   s =  0.15668226  0.17427710    0.0176
          p =  0.20695019  0.22336353    0.0164
          d =  0.10674835  0.11523885    0.0085
          f =  0.03696252  0.04067679    0.0037
          ns  -0.02401574 -0.02692557   -0.0029
          ------------------------------------
          TOT  0.48332758  0.52663069    0.0433
                           1.00995827
   ========================== 
      8   s =  0.20791162  0.22532326    0.0174
          p =  0.27973140  0.29673188    0.0170
          d =  0.14106636  0.15242885    0.0114
          f =  0.03981568  0.04598687    0.0062
          ns  -0.04215141 -0.05066672   -0.0085
          ------------------------------------
          TOT  0.62637365  0.66980414    0.0434
                           1.29617778
   ========================== 
      9   s =  0.81242673  0.84836366    0.0359
          p =  0.76388842  0.86998888    0.1061
          d =  0.08503476  0.08911437    0.0041
          f =  0.02088228  0.02174852    0.0009
          ns   0.01065630  0.01093920    0.0003
          ------------------------------------
          TOT  1.69288848  1.84015464    0.1473
                           3.53304312
   ========================== 
     10   s =  0.81242510  0.84837635    0.0360
          p =  0.76362765  0.86968529    0.1061
          d =  0.08503495  0.08911905    0.0041
          f =  0.02089013  0.02175678    0.0009
          ns   0.01066901  0.01095421    0.0003
          ------------------------------------
          TOT  1.69264684  1.83989168    0.1472
                           3.53253852
   ========================== 
     11   s =  0.81242510  0.84837635    0.0360
          p =  0.76362765  0.86968529    0.1061
          d =  0.08503495  0.08911905    0.0041
          f =  0.02089013  0.02175678    0.0009
          ns   0.01066901  0.01095421    0.0003
          ------------------------------------
          TOT  1.69264684  1.83989168    0.1472
                           3.53253852
   ========================== 
     12   s =  0.22839537  0.24988680    0.0215
          p =  0.30311047  0.32552315    0.0224
          d =  0.15602120  0.16970034    0.0137
          f =  0.05032393  0.05698526    0.0067
          ns  -0.11075063 -0.12499888   -0.0142
          ------------------------------------
          TOT  0.62710034  0.67709667    0.0500
                           1.30419700
   ========================== 
     13   s =  0.84497980  0.86206595    0.0171
          p =  1.20579375  1.44024137    0.2344
          d =  0.04997708  0.05044544    0.0005
          f =  0.01184927  0.01189567    0.0000
          ns   0.00233026  0.00103091   -0.0013
          ------------------------------------
          TOT  2.11493016  2.36567934    0.2507
                           4.48060950
   ========================== 
     14   s =  0.84496609  0.86205820    0.0171
          p =  1.20578345  1.44020556    0.2344
          d =  0.04997858  0.05044698    0.0005
          f =  0.01185073  0.01189637    0.0000
          ns   0.00233950  0.00104067   -0.0013
          ------------------------------------
          TOT  2.11491835  2.36564778    0.2507
                           4.48056612
   ========================== 
     15   s =  0.84496609  0.86205820    0.0171
          p =  1.20578345  1.44020556    0.2344
          d =  0.04997858  0.05044698    0.0005
          f =  0.01185073  0.01189637    0.0000
          ns   0.00233950  0.00104067   -0.0013
          ------------------------------------
          TOT  2.11491835  2.36564778    0.2507
                           4.48056613
   ========================== 
     16   s =  0.84548571  0.86298541    0.0175
          p =  1.24785269  1.45356798    0.2057
          d =  0.04944776  0.05086500    0.0014
          f =  0.01161307  0.01200965    0.0004
          ns   0.00392872  0.00276213   -0.0012
          ------------------------------------
          TOT  2.15832795  2.38219017    0.2239
                           4.54051811
   ========================== 
     17   s =  0.84546000  0.86296147    0.0175
          p =  1.24789978  1.45358171    0.2057
          d =  0.04944874  0.05086781    0.0014
          f =  0.01161002  0.01200737    0.0004
          ns   0.00393543  0.00276877   -0.0012
          ------------------------------------
          TOT  2.15835397  2.38218713    0.2238
                           4.54054110
   ========================== 
     18   s =  0.84546000  0.86296147    0.0175
          p =  1.24789978  1.45358171    0.2057
          d =  0.04944874  0.05086781    0.0014
          f =  0.01161002  0.01200737    0.0004
          ns   0.00393543  0.00276877   -0.0012
          ------------------------------------
          TOT  2.15835397  2.38218713    0.2238
                           4.54054110
   ========================== 
     19   s =  0.84548571  0.86298541    0.0175
          p =  1.24785269  1.45356798    0.2057
          d =  0.04944776  0.05086500    0.0014
          f =  0.01161307  0.01200965    0.0004
          ns   0.00392872  0.00276213   -0.0012
          ------------------------------------
          TOT  2.15832795  2.38219017    0.2239
                           4.54051812
   ========================== 
     20   s =  0.84545601  0.86296238    0.0175
          p =  1.24792647  1.45366277    0.2057
          d =  0.04945274  0.05087242    0.0014
          f =  0.01161245  0.01200843    0.0004
          ns   0.00393118  0.00276528   -0.0012
          ------------------------------------
          TOT  2.15837885  2.38227127    0.2239
                           4.54065012
   ========================== 
     21   s =  0.84545601  0.86296238    0.0175
          p =  1.24792647  1.45366277    0.2057
          d =  0.04945274  0.05087242    0.0014
          f =  0.01161245  0.01200843    0.0004
          ns   0.00393118  0.00276528   -0.0012
          ------------------------------------
          TOT  2.15837885  2.38227127    0.2239
                           4.54065012
   ========================== 
     22   s =  0.83616819  0.85615422    0.0200
          p =  1.28172625  1.49532094    0.2136
          d =  0.04750578  0.04928478    0.0018
          f =  0.01204616  0.01226508    0.0002
          ns   0.02331195  0.02151940   -0.0018
          ------------------------------------
          TOT  2.20075834  2.43454443    0.2338
                           4.63530277
   ========================== 
     23   s =  0.83617374  0.85615861    0.0200
          p =  1.28178481  1.49531548    0.2135
          d =  0.04750801  0.04928609    0.0018
          f =  0.01204519  0.01226618    0.0002
          ns   0.02331366  0.02152024   -0.0018
          ------------------------------------
          TOT  2.20082540  2.43454659    0.2337
                           4.63537200
   ========================== 
     24   s =  0.83617374  0.85615861    0.0200
          p =  1.28178481  1.49531548    0.2135
          d =  0.04750801  0.04928609    0.0018
          f =  0.01204519  0.01226618    0.0002
          ns   0.02331366  0.02152024   -0.0018
          ------------------------------------
          TOT  2.20082540  2.43454659    0.2337
                           4.63537200
 
############################################
 
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   77.479257
       spin moment in wigner seitz cell =    0.301654
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     0.479257
                              spin magnetic moment =     0.301654
 
  Atom    2 charge in wigner seitz cell =    1.357906
       spin moment in wigner seitz cell =    0.040488
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.357906
                              spin magnetic moment =     0.040488
 
  Atom    3 charge in wigner seitz cell =    1.357190
       spin moment in wigner seitz cell =    0.040493
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.357190
                              spin magnetic moment =     0.040493
 
  Atom    4 charge in wigner seitz cell =    1.357190
       spin moment in wigner seitz cell =    0.040493
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.357190
                              spin magnetic moment =     0.040493
 
  Atom    5 charge in wigner seitz cell =    1.010011
       spin moment in wigner seitz cell =    0.043332
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.010011
                              spin magnetic moment =     0.043332
 
  Atom    6 charge in wigner seitz cell =    1.009957
       spin moment in wigner seitz cell =    0.043303
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.009957
                              spin magnetic moment =     0.043303
 
  Atom    7 charge in wigner seitz cell =    1.009957
       spin moment in wigner seitz cell =    0.043303
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.009957
                              spin magnetic moment =     0.043303
 
  Atom    8 charge in wigner seitz cell =    1.296174
       spin moment in wigner seitz cell =    0.043430
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.296174
                              spin magnetic moment =     0.043430
 
  Atom    9 charge in wigner seitz cell =   49.533040
       spin moment in wigner seitz cell =    0.147266
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.466960
                              spin magnetic moment =     0.147266
 
  Atom   10 charge in wigner seitz cell =   49.532536
       spin moment in wigner seitz cell =    0.147245
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.467464
                              spin magnetic moment =     0.147245
 
  Atom   11 charge in wigner seitz cell =   49.532536
       spin moment in wigner seitz cell =    0.147245
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.467464
                              spin magnetic moment =     0.147245
 
  Atom   12 charge in wigner seitz cell =    1.304195
       spin moment in wigner seitz cell =    0.049996
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =     1.304195
                              spin magnetic moment =     0.049996
 
  Atom   13 charge in wigner seitz cell =   50.480607
       spin moment in wigner seitz cell =    0.250749
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.519393
                              spin magnetic moment =     0.250749
 
  Atom   14 charge in wigner seitz cell =   50.480564
       spin moment in wigner seitz cell =    0.250729
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.519436
                              spin magnetic moment =     0.250729
 
  Atom   15 charge in wigner seitz cell =   50.480564
       spin moment in wigner seitz cell =    0.250729
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.519436
                              spin magnetic moment =     0.250729
 
  Atom   16 charge in wigner seitz cell =   50.540516
       spin moment in wigner seitz cell =    0.223862
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.459484
                              spin magnetic moment =     0.223862
 
  Atom   17 charge in wigner seitz cell =   50.540539
       spin moment in wigner seitz cell =    0.223833
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.459461
                              spin magnetic moment =     0.223833
 
  Atom   18 charge in wigner seitz cell =   50.540539
       spin moment in wigner seitz cell =    0.223833
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.459461
                              spin magnetic moment =     0.223833
 
  Atom   19 charge in wigner seitz cell =   50.540516
       spin moment in wigner seitz cell =    0.223862
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.459484
                              spin magnetic moment =     0.223862
 
  Atom   20 charge in wigner seitz cell =   50.540648
       spin moment in wigner seitz cell =    0.223892
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.459352
                              spin magnetic moment =     0.223892
 
  Atom   21 charge in wigner seitz cell =   50.540648
       spin moment in wigner seitz cell =    0.223892
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.459352
                              spin magnetic moment =     0.223892
 
  Atom   22 charge in wigner seitz cell =   50.635301
       spin moment in wigner seitz cell =    0.233786
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.364699
                              spin magnetic moment =     0.233786
 
  Atom   23 charge in wigner seitz cell =   50.635370
       spin moment in wigner seitz cell =    0.233721
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.364630
                              spin magnetic moment =     0.233721
 
  Atom   24 charge in wigner seitz cell =   50.635370
       spin moment in wigner seitz cell =    0.233721
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   7 charge neutrality in unit cell =    -1.364630
                              spin magnetic moment =     0.233721
 
                    TOTAL mag. moment in unit cell =     3.884861
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 19:59:23:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:23:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  6.6588D-01  ,  v+ - v- =  3.1054D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  9.5969D-02  ,  v+ - v- =  1.8639D-03
      rms-error for atom  2 :v+ + v- =  2.9298D-02  ,  v+ - v- =  3.1931D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.0617D-01  ,  v+ - v- =  1.2074D-03
      rms-error for atom  3 :v+ + v- =  2.8999D-02  ,  v+ - v- =  3.1929D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.0656D-01  ,  v+ - v- =  1.2114D-03
      rms-error for atom  4 :v+ + v- =  2.8999D-02  ,  v+ - v- =  3.1929D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.0656D-01  ,  v+ - v- =  1.2114D-03
      rms-error for atom  5 :v+ + v- =  1.2823D-02  ,  v+ - v- =  3.7613D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  8.7360D-02  ,  v+ - v- =  7.3371D-04
      rms-error for atom  6 :v+ + v- =  1.2648D-02  ,  v+ - v- =  3.7615D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  8.7603D-02  ,  v+ - v- =  7.3382D-04
      rms-error for atom  7 :v+ + v- =  1.2648D-02  ,  v+ - v- =  3.7615D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  8.7603D-02  ,  v+ - v- =  7.3382D-04
      rms-error for atom  8 :v+ + v- =  1.6628D-02  ,  v+ - v- =  3.4873D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  9.3278D-02  ,  v+ - v- =  1.3518D-03
      rms-error for atom  9 :v+ + v- =  4.2708D-02  ,  v+ - v- =  3.7300D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  8.0767D-02  ,  v+ - v- =  7.4439D-04
      rms-error for atom 10 :v+ + v- =  4.2819D-02  ,  v+ - v- =  3.7300D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  8.0882D-02  ,  v+ - v- =  7.4401D-04
      rms-error for atom 11 :v+ + v- =  4.2819D-02  ,  v+ - v- =  3.7300D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  8.0882D-02  ,  v+ - v- =  7.4401D-04
      rms-error for atom 12 :v+ + v- =  5.5640D-02  ,  v+ - v- =  3.1441D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  5.5318D-02  ,  v+ - v- =  1.2160D-03
      rms-error for atom 13 :v+ + v- =  8.9901D-02  ,  v+ - v- =  3.0204D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  3.5040D-02  ,  v+ - v- =  9.2699D-04
      rms-error for atom 14 :v+ + v- =  9.0033D-02  ,  v+ - v- =  3.0204D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  3.5284D-02  ,  v+ - v- =  9.2734D-04
      rms-error for atom 15 :v+ + v- =  9.0033D-02  ,  v+ - v- =  3.0204D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  3.5284D-02  ,  v+ - v- =  9.2734D-04
      rms-error for atom 16 :v+ + v- =  9.1297D-02  ,  v+ - v- =  3.0568D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.9646D-02  ,  v+ - v- =  9.6551D-04
      rms-error for atom 17 :v+ + v- =  9.1147D-02  ,  v+ - v- =  3.0568D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.9714D-02  ,  v+ - v- =  9.5918D-04
      rms-error for atom 18 :v+ + v- =  9.1147D-02  ,  v+ - v- =  3.0568D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.9714D-02  ,  v+ - v- =  9.5918D-04
      rms-error for atom 19 :v+ + v- =  9.1297D-02  ,  v+ - v- =  3.0568D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.9646D-02  ,  v+ - v- =  9.6551D-04
      rms-error for atom 20 :v+ + v- =  9.1268D-02  ,  v+ - v- =  3.0568D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.9654D-02  ,  v+ - v- =  9.7034D-04
      rms-error for atom 21 :v+ + v- =  9.1268D-02  ,  v+ - v- =  3.0568D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.9654D-02  ,  v+ - v- =  9.7034D-04
      rms-error for atom 22 :v+ + v- =  9.6535D-02  ,  v+ - v- =  3.3293D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.8257D-02  ,  v+ - v- =  6.9797D-04
      rms-error for atom 23 :v+ + v- =  9.6482D-02  ,  v+ - v- =  3.3294D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.8415D-02  ,  v+ - v- =  6.9745D-04
      rms-error for atom 24 :v+ + v- =  9.6482D-02  ,  v+ - v- =  3.3294D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.8415D-02  ,  v+ - v- =  6.9745D-04
      ITERATION   7 average rms-error : v+ + v- =  1.6664D-01
                                        v+ - v- =  3.3128D-02
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.320618989061526E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  5.079385000906057E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.580978443392946E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.834948672458951E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.601412580361991E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.551907184732591E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.902052195644596E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  4.667713632277536E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.427206307211359E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.124803989356589E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.240405887961502E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.702436417182232E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  7.533906410341218E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.323412592141412E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  2.015641555182383E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.001166163105906E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.949507163281200E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  2.673978726153713E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.553215384282133E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.479151997396808E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.390676813114051E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  8.752976104923120E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.262463485079460E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.048025915105447E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.915187663532175E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.605796491015268E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.335803250172243E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.174868951774721E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  7.865809918408634E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  8.380010804383664E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.077887734875792E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.060247307764161E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.653926675854001E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  7.924360400961628E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.203811871422689E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  7.870400713097149E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.049925541091155E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  3.608417195067733E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  6.182691514486343E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.354901711232938E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  8.867757414357685E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.031856276162541E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  7.118383054126670E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.237929984431397E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.240780967836156E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.036456547967568E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.694626340844409E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.360439463147013E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.457545850491115E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  1.424582404789710E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.066011808522041E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  8.032836465462930E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  6.889317918503973E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.072763790177252E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  1.872340849250127E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.267127578687579E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.823538064476284E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.141211051709656E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  1.050725782936414E-003
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.507112119776566E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.743772450578919E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  1.907975701078539E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.266960168332326E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.217854513039505E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  2.109900567213017E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  4.953479735286459E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  1.803946946226357E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  7.130448407981957E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  1.235358185784962E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  1.483969774818101E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  2.599906510487628E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  4.967222033704002E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  9.367624764851773E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  9.110995562424333E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  1.206078293260458E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  5.250703082208479E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  2.545563668808336E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  1.056768392190369E-003
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  1.621538656641068E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  1.907975561486509E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  2.266592027209048E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.217854479144392E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  2.109900639934221E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  4.947438825101667E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  1.803946889809297E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  7.130448173984167E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  1.235358158572793E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  1.483969721551770E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  2.600047856327561E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  4.966088395528277E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  9.367624639625416E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  9.110995388449659E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  1.206078249017686E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  5.250702956079710E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  2.545251271025901E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  1.056768354557083E-003
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  1.621538732989762E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  3.120883784967024E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  4.417192540897976E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.604763614041561E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  2.089912935766108E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.195204232096637E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  2.129635024854352E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  2.969258015978814E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.298663073744240E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.276714944787749E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.053662673938683E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  1.875303532514202E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.431932401083047E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  1.265387962447519E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.888954118304264E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  1.717827245131647E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  3.174761507254958E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  1.659618327165237E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.180261071361275E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  5.295947672653891E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  4.440882571634403E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  2.852373540588002E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  2.811919000812439E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.093472210856106E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.284127792853319E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  8.838311652646891E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  5.546101980986892E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  5.420390621588037E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  1.946937887447878E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.721035574056073E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  1.610491307016393E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.828370076799468E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  2.089768272238060E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  8.174916929999919E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  2.131193769502136E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  1.589772199390295E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  4.876530678287393E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  1.486273936896178E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  1.094324225562584E-003
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  9.371374945346084E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  1.622546148121632E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  6.318245336807482E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  2.912077855637673E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  8.581065879331896E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.009583056961126E-003
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  1.660121341550825E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  5.297296571972654E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  8.813896657275508E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.114664156733893E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  5.834085878503853E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.214532923236473E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.394666066046070E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  1.684432781058898E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  2.770434699087324E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  4.812108189670664E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  9.731112759058633E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.307430233884160E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  8.050522706362574E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  2.103770527588832E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  2.089768203764671E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  8.174916645610179E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  2.131193706205912E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  1.589772159634889E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  4.876469566346875E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  1.486274041525003E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  1.094324259168285E-003
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  9.371374731465179E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  1.622546273478827E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  6.318245328041512E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  2.912784364609958E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  8.581065779148068E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.009583025854684E-003
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  1.660121295678122E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  5.297296334565366E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  8.813896335072106E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.114651185052618E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  5.835413373495940E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.214532904554075E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.394666297086604E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  1.684432821413416E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  2.770434493027977E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  4.812109636000685E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  9.731112607833331E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.307243175045129E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  8.050522477137991E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  2.103770776528696E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.000881209299839E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.261390590708951E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.531424919238185E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  5.999357298641099E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.835726585933758E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.084483646913352E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.029400695230513E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.464241121148082E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.198324207395088E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  2.958178036468808E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.193600641170457E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.557166822076400E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.604907780528944E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  7.387110417775608E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.919075927298466E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.464712116895690E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.754209191751448E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  8.777994670991321E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.790564176341894E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.769767760211662E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.968474230788119E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.287054281828841E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.668336524013639E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.169798515808478E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.302533601814482E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.326223736192600E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.821563558229454E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.165171536244102E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  9.704768549694993E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  9.702500336164427E-011
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.698028728550168E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  5.697562864734694E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.319644651259564E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.461219900108663E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.455274740331354E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.133413632459739E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.235898244838046E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  1.606908165946703E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.649827974365924E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.292755138879167E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  9.835939190047046E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  1.412840726107346E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.017502980990183E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.157066511238161E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.370124543805371E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.592972220721758E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  1.199518532513402E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  5.826592625939471E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.139490986752233E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  7.042038699131571E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  1.019248282156131E-003
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  1.055170476878087E-003
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  9.381678736801996E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  2.369335273143116E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  4.455695972963479E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  1.082859821591948E-003
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  8.811439660710285E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  2.359828602598633E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.481807852163655E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  5.316880075998470E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.602421636667874E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  5.718194496321719E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  1.666906111380080E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.449798261622267E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  1.222245148143671E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.698162752640188E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  7.712224296775301E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  2.678557222444214E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  7.074534472587016E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  1.222006189718115E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  6.038023415900271E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  8.828764317724331E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  9.853385768116730E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  5.991558161324659E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  1.038676664848923E-003
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  5.691021900923222E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.294015633000045E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  5.086736251388056E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  5.250125130872295E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  9.389745163303648E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  1.334948740932468E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  5.402158995085076E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.392108933202423E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  1.306108228707738E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  9.144912220886232E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  3.454472430963408E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  2.665746983858314E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  6.685704257858801E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  1.057678569151538E-003
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  8.330854238714165E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  1.443790721863126E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  6.112995856273215E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.474551567462579E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  3.851530010322399E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  4.599005209299222E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  7.074533907231134E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  1.222006146852443E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  6.038106150279831E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  8.828764647359506E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  9.853386439020661E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  5.991557880614669E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  1.038676790849168E-003
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  5.691021620803402E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.294185431030290E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  5.086735947486102E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  5.250124983233950E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  9.389745542975318E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  1.334948702922836E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  5.402158990820365E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.392136934455450E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  1.306108191119910E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  9.144912616634486E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  3.455191447045114E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  2.665747095062563E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  6.685705175391079E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  1.057678490466373E-003
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  8.330854039456716E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  1.443790722615579E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  6.112995754829527E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.475276790752851E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  3.851529808534948E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  4.599003762086274E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.663385516823749E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.664653753563566E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.723447732379820E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  2.254547947674910E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.113292955333196E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  4.645112317457679E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.333420436653039E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.226354609131110E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.896609468151725E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.419193228211558E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.467636983813757E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.976600850129701E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.021969163445004E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  5.515339017708166E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.909992829432010E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.147139708655427E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.204809091597219E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.258299734475757E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.249709868219634E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.914929275806430E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.247154763510546E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  7.737390087751305E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.579317193567704E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  4.421436510918215E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.177768811140866E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  2.051852763989548E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.870785321904376E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.291418797106184E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  3.480735281949726E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.831903828613942E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.417072532893461E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.611540835856168E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.316251988379844E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.252406201611930E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.050890784378068E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  7.594008615859069E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.313343622390363E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  6.072873589958089E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.016579427900534E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.617444805208253E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  1.513102617404630E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.261160509201626E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.134091035302945E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  9.769925198481223E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.422207763492624E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.627017932305233E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  1.581896276817020E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.533012397264449E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  5.868841983826789E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  4.775544512127166E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  4.024603932163493E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.415368978612327E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.220538456427983E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  4.141480474598721E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.343007664378717E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  1.307272979013096E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.501177958928156E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.134761622542313E-003
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.049859311695261E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.042535997076558E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  5.399297430105461E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  8.682659438123506E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.055879541860250E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  5.201853897195084E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.778944381297892E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  5.534315490053462E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.509225147981094E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  7.671589077229938E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.312480644671177E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  7.587955903922868E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.174715735849370E-003
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.029484077945545E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  4.138967013219527E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  7.919171096959016E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  1.371069181631547E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.111775040888954E-003
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.127046204568328E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  2.392414174010471E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  2.020611302748830E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  9.831971683480309E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.133663878587032E-003
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  2.078072779983047E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  3.587395098541121E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  6.541472986620768E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  4.142579934427795E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  5.680240700537978E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  3.487662730101445E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.233624911205556E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  2.701723681205488E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  4.797625546252115E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  2.601613158277111E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  4.509261786146655E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  2.770552951780054E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  3.181561995463798E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  7.645126164679684E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  4.681401746447329E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.312480251750364E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  7.587955768797350E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.174715725263921E-003
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.028728055325065E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  4.138966188334770E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  7.919170783975430E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  1.371069452327571E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.111775024307271E-003
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.126926487516016E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  2.392414153872520E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  2.020611273332873E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  9.831970436239240E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.133663957296474E-003
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  2.078072673914771E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  3.587395487456882E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  6.541472818193142E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  4.143712518850970E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  5.680240606334580E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  3.487661104778887E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.232199802904824E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  2.701723644818217E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  4.797625997139507E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  2.601613140437152E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  4.509261235230719E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  2.770552888001801E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  3.180546458945106E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  7.645126038440699E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  4.681401667059315E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  1.936635206160724E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.580385925580011E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  6.142841518075087E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  1.132281596959848E-004
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.790463866130581E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  2.790344736711362E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  2.867932839021004E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  6.473751218456778E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  1.068751229298230E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  2.271782931925191E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  2.407543158619676E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  1.449354783905489E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  3.279428492379334E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  8.577400803016723E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  5.965589037954813E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  4.133421782471378E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  3.169051979838567E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  9.238462503327698E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  1.060012413860224E-004
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  2.150238698301819E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  2.793205393628777E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  4.362793456629910E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  3.249259498207739E-004
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  1.715585006644045E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  2.055966319429823E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  1.106654816752196E-004
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  2.818223061256506E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  2.318343724416017E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  1.841375960817654E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  7.517452064166812E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.678760370678625E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  6.247732644054444E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  3.178490331342719E-004
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  3.266356876302455E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  1.217639726989721E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  2.904337961129830E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.490371961450212E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  2.265714518196920E-004
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  4.124946671238874E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.310085946507769E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  2.135516604907874E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  6.469872758771651E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  5.125381487726983E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  2.087708256085683E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  1.304190583259908E-004
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  2.510326399488590E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  3.430536132969059E-004
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  8.616568481972351E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  3.273090430447936E-004
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  1.129002080180913E-004
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  1.377112287033564E-004
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  2.213355259302286E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  1.879258367188198E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  1.510661455944049E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  1.956478707012742E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  4.368621014887630E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  4.345910088530005E-004
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  4.375484524412472E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  2.053453300773853E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  2.770838128897238E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  1.439941307985035E-004
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  6.042581857127669E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  1.464222152200473E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  1.362468452671230E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  2.811837587698752E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  6.223166043076896E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  4.020711340777295E-004
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  2.090123371028382E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  1.217639183195521E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  2.904337835799968E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.490370875499041E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  2.265713123528893E-004
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  4.124946390098764E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.310085677778918E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  2.135516267872802E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  6.469870785662729E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  5.125378484376181E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  2.087707133635637E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  1.304190430142395E-004
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  2.510323361040469E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  3.430535689610039E-004
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  8.616581952431294E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  3.273089941254914E-004
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  1.129002023333646E-004
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  1.377109963420524E-004
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  2.213353115517979E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  1.879258031340349E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  1.510659924897876E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  1.956478496686172E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  4.368630529959966E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  4.345909543127030E-004
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  4.375482284034708E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  2.053451330650417E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  2.770837755713733E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  1.439940012767085E-004
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  6.042585546985098E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  1.464221985160295E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  1.362467108814908E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  2.811837250695586E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  6.223157007663113E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  4.020710828518792E-004
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  2.090121648799253E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  1.936634855734893E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.580378872727466E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  6.142840663905016E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  1.132281812752244E-004
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.790463705116838E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  2.790343578827741E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  2.867932331448444E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  6.473752268250775E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  1.068751921978853E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  2.271784054291970E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  2.407542859655826E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  1.449351704081331E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  3.279427973576793E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  8.577387285883055E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  5.965588487641385E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  4.133421329453424E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  3.169053721397862E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  9.238474937558074E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  1.060012274704060E-004
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  2.150237501882607E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  2.793205100421888E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  4.362783882687533E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  3.249259049988653E-004
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  1.715583244984635E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  2.055967940962663E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  1.106654643385086E-004
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  2.818223879897473E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  2.318342991636643E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  1.841375737725716E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  7.517461621649791E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.678760205336963E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  6.247740772287917E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  3.178489928656789E-004
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  3.266355202200375E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  3.654374380698998E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  4.131378327834678E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.885234337653819E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  2.650056576118433E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  2.826623624784393E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  1.402954289436703E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  4.524399217122577E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  1.243081872235341E-004
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  6.476711012493473E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  5.269163141134539E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  3.794154367925628E-004
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  2.074024901894897E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  1.859374552522213E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.209987330875796E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  8.611795925926114E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  2.952949682647132E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  3.401166580860584E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  4.365907435844614E-004
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  2.683617862142164E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  1.997587943591379E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.336891281954719E-004
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  1.163504127914451E-004
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  4.401285686989311E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  1.279567998325395E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  2.854477279568210E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  2.053992071030640E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  2.991465825042545E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  4.147812496450938E-004
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  2.577620148088418E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  6.316676855800302E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  1.874364890986182E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  1.282066693213818E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  6.234608473701027E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  9.787846721035940E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  1.729517815792502E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  3.654373525403361E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  4.131380030948469E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.885234322805563E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  2.650062750915643E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  2.826622416070968E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  1.402954458777704E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  4.524399826487681E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  1.243082007825378E-004
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  6.476712450624306E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  5.269160426205834E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  3.794153138031928E-004
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  2.074024935058898E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  1.859373023386773E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.209987340603828E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  8.611782949633629E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  2.952949810630701E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  3.401166651357032E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  4.365905343658330E-004
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  2.683615753236856E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  1.997587923219552E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.336891335044849E-004
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  1.163504197664477E-004
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  4.401276085494856E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  1.279567874315468E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  2.854475380094625E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  2.053993845217267E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  2.991465817522256E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  4.147811400757769E-004
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  2.577620821160138E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  6.316677360345039E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  1.874363576852798E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  1.282066619709365E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  6.234616981380774E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  9.787845351554717E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  1.729518703535043E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  3.306695430968539E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.124657607200330E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.226395147920300E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  4.065059491209626E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  2.098345323283088E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  3.989559700712834E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  8.312728463921250E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  3.203865244283249E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  2.939252088170318E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  7.013042645420023E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.255674749359412E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.151097869940365E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  6.833769359321212E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.497458060446994E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.776947803254562E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.410937181100273E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  1.741921325975309E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  1.040944240716471E-004
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  4.384654345717650E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  2.245857826443903E-004
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.847247789043503E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  4.506318269517154E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.108307493099617E-004
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  9.880892661266050E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  2.258748592402547E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  1.299202365613510E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.056952190286425E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  5.926158576538082E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.686662364506329E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  1.711122773464104E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.636265773140379E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.274234197188896E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  2.806932622572766E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.427704617840791E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  2.231266356514329E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.249439297541737E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  1.901548053320156E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.369258793528417E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  3.491065700260381E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  5.879536643772460E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.025278405549892E-003
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  2.023593774591376E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  2.099570420618736E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.547484460744530E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  4.136653102224599E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  7.222031403108753E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.478954515527470E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  2.039667974065363E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  1.547718991180903E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.517996751650733E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  3.441791690270914E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  5.997239498098117E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  8.798577990636293E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.367715147357916E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  8.898979813937992E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  5.222918218980598E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  1.799812411306311E-004
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  2.242396577253599E-004
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  1.966594142526149E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  2.242436062745581E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.109475460199908E-004
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  3.910365823695565E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  1.133142376038207E-004
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.570671075716780E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.027929197288430E-004
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  9.089068998922584E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.522759504422368E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  8.582712918288767E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  1.692667636610134E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  1.955774517295754E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  1.410639375766411E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  2.459858112371960E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  1.127844195569649E-004
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  2.977689367097017E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  9.712818704388724E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  1.485746097278206E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  3.491059043870324E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  5.879536636125410E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.025277211173120E-003
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  2.023593749393609E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  2.099570337991595E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.547484681128550E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  4.136653106056999E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  7.222031084494891E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.478954458563438E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  2.039726105466838E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  1.547716544731415E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.517996749151945E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  3.441791624296891E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  5.997234649874937E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  8.798577742008913E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.368877147975888E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  8.898979934737833E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  5.222918440569355E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  1.799812474133436E-004
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  2.242396456677934E-004
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  1.966594394358872E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  2.242436044173735E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.109475420396703E-004
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  3.910365742078913E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  1.133142395784712E-004
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.570689810602033E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.027929279886244E-004
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  9.089070011940752E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.523629323345793E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  8.582712808086074E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  1.692664464678755E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  1.955771940758659E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  1.410639343174528E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  2.459857615272723E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  1.127844182850864E-004
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  2.963701205779849E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  9.712818850040730E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  1.485743268050711E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.201815908480901E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.878522420870171E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.764622368143683E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.345737053161356E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.399603922175574E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  2.038772075883762E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.442814601887705E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  5.394013623143258E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.128762828398640E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.410625878770724E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.172380344960823E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.671346544507048E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  7.559502913399644E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.455393224382368E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.960421892877109E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.556968673684340E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  7.818179978773007E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  2.631784205941025E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.626575309758898E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.438834839164000E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.343746791357989E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  7.621518346706264E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.366012801370870E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  9.950270872469367E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.788070469218205E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.401677428945526E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.297804842691045E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.151450091646734E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  7.135513259356548E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.302900599783672E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  4.115107113295938E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.592421109147519E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  8.292755688221280E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.094361339981027E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.192486058353144E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  5.672871836813263E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.069631024928833E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  3.907282956726952E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  6.810824033279918E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.586617601497831E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  9.602959621817297E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.078991835855111E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  7.218805843922828E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.323336720746273E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.233881974041929E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.128463698029697E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.828926605551852E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.423839431259115E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.420458428879164E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  1.450784325903462E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.346325395431379E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.295220298678497E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.658018908514718E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.072030761996906E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  2.000084744766529E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.324971410594707E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.775365881263723E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.211538863753747E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  1.063005334590807E-003
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.525446301523604E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.891697122649862E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  1.976384561338519E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.201196030046878E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  1.283315938684051E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  2.223600386295081E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.685972346040284E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  1.892600167198031E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  7.259178080614763E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  1.257714186641754E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  1.506203317006763E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.412791950234710E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  4.597164075840104E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  1.000770749129772E-003
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  9.218022793115450E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  1.235853447951462E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  5.313556865023198E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  1.878613447181769E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  1.067844635409701E-003
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  1.732450690827756E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  1.976384426670598E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.200791959082470E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  1.283315901197652E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  2.223600469311315E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.680435251731425E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  1.892600113120680E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  7.259177854212858E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  1.257714155515327E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  1.506203265103800E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.412562759549927E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  4.596004598954130E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  1.000770734571624E-003
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  9.218022581250353E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  1.235853405165940E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  5.313556745204647E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  1.878215124657050E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  1.067844600646958E-003
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  1.732450774097832E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  3.304921723929330E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  4.862404303241037E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.046431696472307E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  2.130173729824597E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.225456757143565E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  2.235720657390218E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  3.192774362660572E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.362108750075301E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.327171690543751E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.115287358980545E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  1.917341042245130E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.476747475857827E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  1.297933205310510E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  2.962748020669516E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  1.758385441385726E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  3.343065791987811E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  1.671201382755033E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.210558525079070E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  5.494715127998931E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  4.793115741972510E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  2.878242580624825E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  2.831552193140904E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.009826661808913E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.366874069436926E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  9.693125241390494E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  5.512908022247078E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  5.492845271115469E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  2.025573745338490E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.732911835183023E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.678945164441348E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.966226343385071E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  2.129766449783019E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  8.194980257663529E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  2.237019181449940E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  1.615019248152689E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  5.485721433307285E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  1.521386671220452E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  1.122417362418559E-003
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  9.579736938585937E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  1.658881964318476E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  6.480171240344581E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.229836619416254E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  8.782564840125026E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.009615828865621E-003
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  1.671627083599335E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  5.496707147387807E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  8.956705333241240E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.198330594337746E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  5.756542530416857E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.260718770661735E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.453891783814070E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  1.752373573762272E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  2.753679457445094E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  4.783620975072667E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  1.012240976310931E-003
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.444770685151733E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  8.391127141575402E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  2.183969970498973E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  2.129766385090717E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  8.194979956964156E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  2.237019128207844E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  1.615019205402188E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  5.485660428825982E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  1.521386788665159E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  1.122417402039992E-003
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  9.579736653245871E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  1.658882105005841E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  6.480171204207878E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.230559501513282E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  8.782564697395130E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.009615796955673E-003
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  1.671627035932859E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  5.496706887899222E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  8.956705020467243E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.198316985884277E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  5.757900504025094E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.260718745132035E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.453892024924057E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  1.752373623284896E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  2.753679225191103E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  4.783622410269167E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  1.012240955025093E-003
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.444594175456433E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  8.391126848797980E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  2.183970231180659E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.224522823563009E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.398201422630311E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.665245519360984E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  6.423262174053926E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.242554022311688E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  4.464637919611913E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.008469072764718E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.096491870386375E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.268966227212825E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.424303541567719E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.251591824507353E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.610335274985490E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.723808563515295E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  7.192237033258404E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.972179150773852E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  2.698380351802846E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.847054829845459E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.061537511387207E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.001847884506359E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  9.008335753176495E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.378052979308645E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.369274317948586E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.812036684689871E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.422237051931393E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.498870921941747E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.720716385828611E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.320536967648374E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171368211060803E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.270293056926720E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.019213968980765E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  5.992787129708281E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  6.448846649203348E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.695972636105381E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.623515830569312E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.464868669548562E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.362368136169054E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.300343251469396E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  1.660591650119158E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.716651320729886E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  3.968349361751692E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.190346728377869E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  1.481394940608027E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.242319105317694E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  3.835791778032491E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.191286630157398E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.730398587552279E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  1.220037443613723E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  5.350468179716732E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.150220649236469E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  6.912058331620433E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  1.045134396111956E-003
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  1.016442623049444E-003
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  9.437081656342125E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  2.541339758479260E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  4.352776784130357E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  1.055940302237491E-003
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  9.632536572339700E-012
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  2.766544311317469E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.528078485993760E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  5.025006410453970E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.289527743108076E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  5.247020035730792E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  1.677154422879569E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.541427582958743E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  1.248062160703688E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.666689769654089E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  7.603960139207418E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  2.427614960533042E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  7.415753766131558E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  1.280998601188777E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  6.561586619631978E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  9.054162216138164E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  9.944390355952916E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  6.094267353370478E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  1.056442743905852E-003
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  5.744572255398724E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.548803692142905E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  5.215355453228428E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  5.055820412068692E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  9.157355201356571E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  1.346750067445879E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  5.267400300755317E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.486960751438670E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  1.290087612875632E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  8.809877219223571E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  3.812259172249011E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  2.519223216657435E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  6.591754765907470E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  1.079890835779344E-003
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  8.381479635978099E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  1.452633824177080E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  6.242027293685443E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  3.792326412378867E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  3.797447463807678E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  4.345503914792612E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  7.415753168160732E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  1.280998556284726E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  6.561656933148803E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  9.054162541739714E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  9.944391015128619E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  6.094267092525997E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  1.056442862812240E-003
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  5.744571968998400E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.548968982236639E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  5.215355138838882E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  5.055820269870994E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  9.157355586244517E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  1.346750026885328E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  5.267400289993189E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.486987354256725E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  1.290087579942191E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  8.809877572251555E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  3.812989738604119E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  2.519223280802011E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  6.591755600121522E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  1.079890757596648E-003
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  8.381479405380278E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  1.452633821304892E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  6.242027167723466E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  3.793042746850218E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  3.797447274811056E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  4.345502577904362E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  7.336676306046160E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.358767150735250E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.885424705398969E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  2.338297160214170E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.211676437377927E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  4.298348562623462E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.978291857342859E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.170718804856281E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.079766393170758E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.557913313158242E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.665825538624960E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.054453835350543E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.017862925429866E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  5.079643898774026E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.916146785012272E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.121822155485777E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.228186663256767E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.293146265829006E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.223573337977835E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.112282956879361E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.819368129577727E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.663464234538697E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.204187954886674E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  4.104071106749501E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.246281856232376E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  2.045683204162617E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.739792281626824E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.290796678730878E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  3.541735741867658E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.411007265468384E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.527098033764543E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.514507094868328E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.698969309436621E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.232002210355831E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.054846028832045E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  7.858930879620668E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.428330157931679E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  6.084566812513635E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  1.978772231485722E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.317679049076231E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  1.494897743574137E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.621227462199263E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.182604287332239E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  8.876823696983764E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.397625220201195E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.635123469081991E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  1.562747556296477E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.467934300477166E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.352834484315818E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  4.483452932652145E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  3.453423895348289E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.434262468555575E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.222914974266186E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  3.830599648116631E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.284508172775036E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  1.331716086461388E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.480902999009283E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.053737628773730E-003
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.063414384114600E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.004890571266392E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  5.378849063763046E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  9.008967580831670E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.021222106462645E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  5.094174604189808E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.708013589217045E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  5.432096813629601E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.301014054993273E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  7.444253476314024E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.296772226651203E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  7.493556119298170E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.196445175497051E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.884149115527627E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  3.886173327909570E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  7.824769812220650E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  1.354515754187146E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.083667498019476E-003
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.061700695185839E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  2.245783012660718E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  1.734655490904672E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  9.130744542097723E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  1.154918848164107E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  1.923570554544961E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  3.318103055155195E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  6.663601408971704E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  4.069873358491319E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  5.276229033925341E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  2.993244963536134E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.101531996624018E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  2.691526039232749E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  4.709459819673639E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  2.547691108444179E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  4.416211024241453E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  2.719839991980775E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.017199980011174E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  7.263187501150696E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  4.663974932089589E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.296771847154298E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  7.493555957675596E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.196445161375212E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.883501392008022E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  3.886172877621330E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  7.824769505236264E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  1.354516013196253E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.083667483277896E-003
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.061595310162494E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  2.245782986107769E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  1.734655482440829E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  9.130743355169114E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  1.154918929210155E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  1.923570462187371E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  3.318103477991704E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  6.663601228716699E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  4.070997353047165E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  5.276228967827540E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  2.993243507759283E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.100156817605082E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  2.691526001850794E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  4.709460228850613E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  2.547691090434437E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  4.416210540986620E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  2.719839927581695E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.016241031337711E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  7.263187398341316E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  4.663974809170444E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.404790698469349E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  2.944999657706981E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  3.140021500817422E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  9.665538115813404E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.926722733320414E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.481802620846978E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  2.641843986710963E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  6.371272730456351E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.462621756089449E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  2.184209173915126E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  2.340672188565050E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  7.778624946590403E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  2.753431200548291E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  7.493053601056120E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  4.990856997561036E-004
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  3.123980125056886E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  2.562344877543234E-004
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  9.046651057024553E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  7.299501394886260E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  1.797410497749222E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  2.050261279118794E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  3.791712253571122E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  2.386482571790410E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  1.948775020527811E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  2.006463549367496E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  8.382284400378534E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  1.932848120706002E-004
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  1.707100122842936E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  1.460145392696558E-004
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  6.960448477234394E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  1.324412786354750E-004
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  6.453315736604393E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  2.461547570576542E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  2.930321388448106E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.048209032927689E-003
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.488655633280581E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  1.461840970363518E-004
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  2.511226829712240E-004
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.256328427230274E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.677836623866068E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.347188851529779E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  6.369538808327943E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  4.628827066478900E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.846314329027223E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  1.305053497674862E-004
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  2.110023427667280E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  3.020452791783159E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  7.515367502657739E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  2.418773518502489E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  8.039774378905844E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  9.252085230953049E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  1.678414414625995E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  1.537091746762463E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  1.208328353775048E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  1.504778592354271E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  3.794603970885434E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  3.397945533024871E-004
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  3.639413156423789E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  2.004716808497761E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  2.507886209694033E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  1.251750191428637E-004
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  5.615516364596132E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  1.243912215565346E-004
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.050262304048272E-004
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  2.100863517074177E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  6.432496832511752E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  2.893982661864795E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  1.774476830425155E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.048208478720098E-003
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.488655474005473E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  1.461844260455639E-004
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  2.511225338699044E-004
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.256328148254238E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.677835989172563E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.347188536887165E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  6.369536866247470E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  4.628824150900391E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.846313188230378E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  1.305053412385084E-004
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  2.110020611496358E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  3.020452370773240E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  7.515379978647022E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  2.418773080548460E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  8.039773284365499E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  9.252064001870758E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  1.678412407466756E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  1.537091417515612E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  1.208326826770615E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  1.504778397519371E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  3.794610192021191E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  3.397945023316787E-004
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  3.639410924930270E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  2.004714855782055E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  2.507885844981113E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  1.251748882916310E-004
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  5.615520833776159E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  1.243912053565433E-004
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.050260956264770E-004
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  2.100863198111848E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  6.432487501920152E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  2.893982188276010E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  1.774475129088984E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.404790617886625E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  2.945006165590932E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  3.140020369295577E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  9.665532789012280E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.926722556144395E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.481801297491150E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  2.641843450098596E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  6.371273563895217E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.462621203275597E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  2.184210142703133E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  2.340671888891204E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  7.778602866667506E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  2.753430667813023E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  7.493040956731039E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  4.990856472558989E-004
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  3.123979642833078E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  2.562346714993125E-004
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  9.046661025320104E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  7.299499904114289E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  1.797409195514818E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  2.050260975941988E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  3.791705739897184E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  2.386482143579211E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  1.948773199016141E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  2.006465090174518E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  8.382282609177615E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  1.932848925209958E-004
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  1.707099436393939E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  1.460145163433414E-004
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  6.960457257101249E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  1.324412620518773E-004
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  6.453323991428912E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  2.461547177436130E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  2.930319718611484E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  3.279813491624648E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  5.848490248607087E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.883814037013654E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  3.234086555825212E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  2.201300063901532E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  2.106821334662425E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  4.058703460544793E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  1.768784200326874E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  6.368817489828031E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  4.136241308867735E-004
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  3.224042427282479E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  1.374017848966260E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  2.006203051739233E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.384341827064333E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  7.526761044258177E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  3.110852938176268E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  3.130120486251282E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  3.323470355565254E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  1.970188437626617E-004
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.663672940061970E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  1.011911235949671E-004
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.028971730913299E-004
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  3.809571126903755E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  1.139310227080546E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  1.869595491994809E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  2.002918811968754E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  2.636528766287365E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  3.084792310325685E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  1.961497255572911E-004
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  4.939523722325629E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  1.529638461434090E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  9.453580430572361E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  6.434204720951317E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  6.067024714316174E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  1.543384769061398E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  3.279812407731614E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  5.848493986961590E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.883813821714153E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  3.234082194246005E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  2.201298709221564E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  2.106821487622550E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  4.058704369764341E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  1.768784284690878E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  6.368818870732410E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  4.136238682370013E-004
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  3.224041230836717E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  1.374017901908620E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  2.006201075056556E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.384341832124844E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  7.526748648840800E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  3.110853117081005E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  3.130120533989727E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  3.323468269171655E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  1.970186388992823E-004
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.663672877991983E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  1.011911650953870E-004
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.028971794158519E-004
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  3.809564484501473E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  1.139310046868686E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  1.869593721694251E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  2.002920555666784E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  2.636528730012591E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  3.084791225512523E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  1.961497921031228E-004
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  4.939524254843655E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  1.529637191445923E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  9.453579602417060E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  6.434213568278796E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  6.067023596129476E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  1.543385789816075E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  3.413452546482000E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.656207831471760E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.748517235504817E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  2.328159694240298E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.205212808393280E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  2.790242459182246E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  7.441261432068118E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  2.361737949270767E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.918388531712045E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  1.252460808280144E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.270886154191326E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.367197841262847E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  6.570899044054795E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.585740342024161E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.062665677769537E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.938840388156124E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.447759106944549E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  7.706072769769195E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.338474661173311E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.449306344280852E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.640175000767382E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  4.164961676066604E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  8.370860378379539E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  7.982948151368897E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  1.682882844209653E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  1.072068398300104E-012
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.123705780787856E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  4.368886080750861E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.552848531733992E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  1.168107065953837E-004
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.677656098428191E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.296500572272327E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  2.810805856862389E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.416762657602033E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  2.176268476873583E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.150464878263142E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  1.743959254875920E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.323709956641225E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  2.001698095118235E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  5.707018996920069E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  9.955391966812886E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  1.157168605430235E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.207447227054153E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.525271841579719E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  3.702336047850956E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  6.469450144749501E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.470463299620667E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.106346788431762E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  1.301226516239926E-004
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.765716286392387E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  3.317272952540421E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  5.782832472768412E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  1.022278704535185E-004
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.518186987063454E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  7.471455984439388E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  3.871392826762958E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  9.915577243349292E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.447080481454624E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  1.467161179298581E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  2.072371551986145E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  8.363366519684988E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  3.615358977522534E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  8.451850130409819E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.230573911629171E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  5.611854825556597E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  6.738721747190012E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  4.695204620398382E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  5.878029357406533E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.561595858150811E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  1.911446248436624E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  1.414407362639775E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  2.466856961816590E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  1.102011911818459E-004
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  2.824674668392313E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  8.954803383834462E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  1.018893782258005E-004
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  2.001692399016046E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  5.707019393970352E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  9.955379659308723E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  1.157168423939331E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.207447188244951E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.525272076062519E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  3.702335998442563E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  6.469449860451491E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.470463325742708E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.106428462769627E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  1.301224243130929E-004
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.765716372485595E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  3.317272958574458E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  5.782827655008805E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  1.022278690732260E-004
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.519259294523972E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  7.471456406959542E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  3.871393257421066E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  9.915578387050434E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.447080389905145E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  1.467161454386737E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  2.072371518429962E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  8.363366102724839E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  3.615358896515080E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  8.451850659530805E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.230362068608135E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  5.611855887257386E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  6.738722803990345E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  4.696069367166397E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  5.878029217064685E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.561592675917506E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  1.911443692399719E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  1.414407359764787E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  2.466856759925044E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  1.102011935020951E-004
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  2.811710809355809E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  8.954803980047225E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  1.018891093000336E-004
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.95672317 p = -3228.82333593
                                d =  -844.30316070 f =   -23.72857120
       valence  contribution :  s =    -0.09525367 p =    -0.02505747
                                d =    -0.56108200 f =    -0.00240479
                                ns      0.00490869
     single particle energies  spin  up    
         core   contribution :  s = -6845.57945277 p = -3230.31583495
                                d =  -845.54778743 f =   -24.60065604
       valence  contribution :  s =    -0.12261568 p =    -0.03246604
                                d =    -1.01528378 f =    -0.00304546
                                ns      0.00714817
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21889.70067421
                                   band energy per atom :   -1.8451520206

     coulomb  contribution :   0  13928.25252019  1     -0.00019143
                               2     -0.00040339  3     -0.00121984
                               4      0.00187506  5     -0.00079686
                               6     -0.00003252
     --------------------------------------------------------------------
     tot. coulomb contribution :  13928.25175121

     ex.-cor. contribution :   0   -676.51514544  1      0.00966078
                               2      0.00241609  3     -0.00649667
                               4     -0.00743798  5      0.00228046
                               6      0.00004477
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -676.51467799

     eff. pot. contribution     : -27003.25886907
     total double counting contribution                 : -13751.52179585

   Total contribution of atom  1 =-35641.22247006
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08115428 p =    -0.09444065
                                d =    -0.04247379 f =    -0.01384350
                                ns      0.04022768
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09874602 p =    -0.11497022
                                d =    -0.05443779 f =    -0.01954201
                                ns      0.05197820
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42740238
                                   band energy per atom :   -0.4274023780

     coulomb  contribution :   0     -0.07218437  1      0.00758063
                               2      0.00816291  3      0.00031754
                               4     -0.00232796  5      0.00002177
                               6     -0.00005759
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.05848705

     ex.-cor. contribution :   0     -0.69116102  1     -0.00064202
                               2      0.05290015  3      0.01033094
                               4      0.01972588  5      0.00406648
                               6      0.00050341
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60427619

     eff. pot. contribution     :     -0.46652451
     total double counting contribution                 :     -1.12928776

   Total contribution of atom  2 =    -1.55669013
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08107890 p =    -0.09434369
                                d =    -0.04243923 f =    -0.01383035
                                ns      0.04015299
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09865907 p =    -0.11484828
                                d =    -0.05438679 f =    -0.01952204
                                ns      0.05188113
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42707421
                                   band energy per atom :   -0.4270742129

     coulomb  contribution :   0     -0.07250946  1      0.00761670
                               2      0.00819353  3      0.00031407
                               4     -0.00231597  5      0.00002387
                               6     -0.00005714
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.05873440

     ex.-cor. contribution :   0     -0.69056274  1     -0.00065573
                               2      0.05283356  3      0.01031647
                               4      0.01967479  5      0.00406065
                               6      0.00050134
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60383165

     eff. pot. contribution     :     -0.46630612
     total double counting contribution                 :     -1.12887217

   Total contribution of atom  3 =    -1.55594638
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08107890 p =    -0.09434369
                                d =    -0.04243923 f =    -0.01383035
                                ns      0.04015299
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09865907 p =    -0.11484828
                                d =    -0.05438679 f =    -0.01952204
                                ns      0.05188113
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42707421
                                   band energy per atom :   -0.4270742149

     coulomb  contribution :   0     -0.07250947  1      0.00761669
                               2      0.00819353  3      0.00031407
                               4     -0.00231597  5      0.00002387
                               6     -0.00005714
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.05873441

     ex.-cor. contribution :   0     -0.69056273  1     -0.00065573
                               2      0.05283355  3      0.01031648
                               4      0.01967478  5      0.00406065
                               6      0.00050134
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60383166

     eff. pot. contribution     :     -0.46630611
     total double counting contribution                 :     -1.12887218

   Total contribution of atom  4 =    -1.55594640
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04860878 p =    -0.05933060
                                d =    -0.02748659 f =    -0.00885074
                                ns      0.00818425
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05957685 p =    -0.07085364
                                d =    -0.03342285 f =    -0.01131338
                                ns      0.00988035
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30137885
                                   band energy per atom :   -0.3013788492

     coulomb  contribution :   0     -0.05794802  1     -0.00205999
                               2     -0.00053373  3     -0.00001380
                               4     -0.00093740  5      0.00025815
                               6      0.00013335
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.06110145

     ex.-cor. contribution :   0     -0.41751930  1     -0.00010479
                               2     -0.00035324  3     -0.00001321
                               4      0.01732715  5      0.00000738
                               6      0.00111239
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39954362

     eff. pot. contribution     :     -0.44828358
     total double counting contribution                 :     -0.90892864

   Total contribution of atom  5 =    -1.21030749
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04860886 p =    -0.05934586
                                d =    -0.02749536 f =    -0.00885066
                                ns      0.00818550
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05957231 p =    -0.07086803
                                d =    -0.03343326 f =    -0.01131389
                                ns      0.00988154
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30142119
                                   band energy per atom :   -0.3014211874

     coulomb  contribution :   0     -0.05781841  1     -0.00206481
                               2     -0.00053579  3     -0.00001261
                               4     -0.00094326  5      0.00025909
                               6      0.00013302
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.06098277

     ex.-cor. contribution :   0     -0.41749797  1     -0.00010572
                               2     -0.00035031  3     -0.00001367
                               4      0.01733049  5      0.00000755
                               6      0.00110902
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39952060

     eff. pot. contribution     :     -0.44824955
     total double counting contribution                 :     -0.90875292

   Total contribution of atom  6 =    -1.21017411
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04860886 p =    -0.05934586
                                d =    -0.02749536 f =    -0.00885066
                                ns      0.00818550
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05957231 p =    -0.07086803
                                d =    -0.03343326 f =    -0.01131389
                                ns      0.00988154
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30142119
                                   band energy per atom :   -0.3014211885

     coulomb  contribution :   0     -0.05781842  1     -0.00206481
                               2     -0.00053579  3     -0.00001261
                               4     -0.00094326  5      0.00025909
                               6      0.00013302
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.06098277

     ex.-cor. contribution :   0     -0.41749797  1     -0.00010572
                               2     -0.00035030  3     -0.00001367
                               4      0.01733045  5      0.00000755
                               6      0.00110902
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39952063

     eff. pot. contribution     :     -0.44824955
     total double counting contribution                 :     -0.90875296

   Total contribution of atom  7 =    -1.21017415
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07132480 p =    -0.08366897
                                d =    -0.03460270 f =    -0.00922346
                                ns      0.01583745
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08692631 p =    -0.10188171
                                d =    -0.04438235 f =    -0.01279296
                                ns      0.02019791
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.40876790
                                   band energy per atom :   -0.4087679002

     coulomb  contribution :   0     -0.09876319  1     -0.00446218
                               2     -0.00487775  3      0.00425580
                               4     -0.00117270  5      0.00022571
                               6      0.00022681
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10456750

     ex.-cor. contribution :   0     -0.60393562  1      0.00223261
                               2      0.00341679  3      0.00081273
                               4      0.02935837  5      0.00083013
                               6      0.00062456
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.56666042

     eff. pot. contribution     :     -0.44825057
     total double counting contribution                 :     -1.11947849

   Total contribution of atom  8 =    -1.52824639
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.49576811 p = -1089.62262577
                                d =  -190.59882942
       valence  contribution :  s =    -0.45629034 p =    -0.16773088
                                d =    -0.01534067 f =    -0.00469709
                                ns     -0.00262015
     single particle energies  spin  up    
         core   contribution :  s = -2635.99333907 p = -1090.74229802
                                d =  -191.83975972
       valence  contribution :  s =    -0.54311759 p =    -0.22568607
                                d =    -0.01980036 f =    -0.00597965
                                ns     -0.00305413
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.73693705
                                   band energy per atom :   -1.4443169343

     coulomb  contribution :   0   5100.87527185  1     -0.00028005
                               2     -0.00012430  3      0.00190025
                               4     -0.00772882  5     -0.00000633
                               6      0.00008662
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.86911922

     ex.-cor. contribution :   0   -329.14777248  1     -0.00000576
                               2     -0.00025266  3      0.00358087
                               4     -0.01872024  5      0.00004384
                               6      0.00036456
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.16276188

     eff. pot. contribution     :  -9890.11526869
     total double counting contribution                 :  -5118.40891135

   Total contribution of atom  9 =-12954.14584841
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.49582017 p = -1089.62274001
                                d =  -190.59894992
       valence  contribution :  s =    -0.45623554 p =    -0.16767388
                                d =    -0.01534238 f =    -0.00469933
                                ns     -0.00262203
     single particle energies  spin  up    
         core   contribution :  s = -2635.99339110 p = -1090.74241219
                                d =  -191.83988013
       valence  contribution :  s =    -0.54306309 p =    -0.22560416
                                d =    -0.01980186 f =    -0.00598240
                                ns     -0.00305724
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.73727546
                                   band energy per atom :   -1.4440819205

     coulomb  contribution :   0   5100.85773016  1     -0.00029231
                               2     -0.00012587  3      0.00190436
                               4     -0.00773715  5     -0.00000545
                               6      0.00008678
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.85156051

     ex.-cor. contribution :   0   -329.14729018  1     -0.00000684
                               2     -0.00025558  3      0.00357918
                               4     -0.01873539  5      0.00004450
                               6      0.00036490
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.16229941

     eff. pot. contribution     :  -9890.09701792
     total double counting contribution                 :  -5118.40775682

   Total contribution of atom 10 =-12954.14503228
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.49582017 p = -1089.62274001
                                d =  -190.59894993
       valence  contribution :  s =    -0.45623554 p =    -0.16767388
                                d =    -0.01534238 f =    -0.00469933
                                ns     -0.00262203
     single particle energies  spin  up    
         core   contribution :  s = -2635.99339110 p = -1090.74241220
                                d =  -191.83988013
       valence  contribution :  s =    -0.54306309 p =    -0.22560416
                                d =    -0.01980186 f =    -0.00598240
                                ns     -0.00305724
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.73727547
                                   band energy per atom :   -1.4440819216

     coulomb  contribution :   0   5100.85773015  1     -0.00029231
                               2     -0.00012587  3      0.00190436
                               4     -0.00773715  5     -0.00000545
                               6      0.00008678
     --------------------------------------------------------------------
     tot. coulomb contribution :   5100.85156050

     ex.-cor. contribution :   0   -329.14729017  1     -0.00000684
                               2     -0.00025558  3      0.00357999
                               4     -0.01873571  5      0.00004450
                               6      0.00036490
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.16229892

     eff. pot. contribution     :  -9890.09701789
     total double counting contribution                 :  -5118.40775631

   Total contribution of atom 11 =-12954.14503178
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08514901 p =    -0.10526079
                                d =    -0.04856027 f =    -0.01448960
                                ns      0.04904047
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10076101 p =    -0.12177744
                                d =    -0.05702840 f =    -0.01788794
                                ns      0.05857752
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44329646
                                   band energy per atom :   -0.4432964551

     coulomb  contribution :   0     -0.15559134  1     -0.00406365
                               2     -0.01381055  3      0.00046663
                               4      0.00358027  5      0.00067689
                               6     -0.00002210
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.16876384

     ex.-cor. contribution :   0     -0.65174055  1     -0.00147041
                               2      0.04962887  3      0.00858765
                               4      0.01904855  5      0.00389950
                               6      0.00028252
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57176385

     eff. pot. contribution     :     -0.41037282
     total double counting contribution                 :     -1.15090052

   Total contribution of atom 12 =    -1.59419697
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67224098 p = -1151.01973760
                                d =  -209.47683100
       valence  contribution :  s =    -0.60053621 p =    -0.21724358
                                d =    -0.01367281 f =    -0.00361848
                                ns      0.00136198
     single particle energies  spin  up    
         core   contribution :  s = -2756.17003857 p = -1152.13998856
                                d =  -210.71885558
       valence  contribution :  s =    -0.68712745 p =    -0.30407330
                                d =    -0.01458253 f =    -0.00369518
                                ns      0.00128341
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.03959643
                                   band energy per atom :   -1.8419041337

     coulomb  contribution :   0   5300.14451935  1     -0.00331599
                               2     -0.00104747  3     -0.00419009
                               4     -0.00526205  5      0.00050613
                               6      0.00001552
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.13122540

     ex.-cor. contribution :   0   -339.70120425  1      0.01211663
                               2     -0.00316861  3     -0.01490484
                               4     -0.01436620  5      0.00224631
                               6     -0.00001418
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.71929514

     eff. pot. contribution     : -10303.68249126
     total double counting contribution                 :  -5343.27056100

   Total contribution of atom 13 =-13580.31015742
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67231093 p = -1151.01989441
                                d =  -209.47700369
       valence  contribution :  s =    -0.60052160 p =    -0.21724374
                                d =    -0.01367149 f =    -0.00361869
                                ns      0.00136023
     single particle energies  spin  up    
         core   contribution :  s = -2756.17010847 p = -1152.14014533
                                d =  -210.71902823
       valence  contribution :  s =    -0.68711290 p =    -0.30407032
                                d =    -0.01458105 f =    -0.00369531
                                ns      0.00128095
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.04036497
                                   band energy per atom :   -1.8418739278

     coulomb  contribution :   0   5300.14393086  1     -0.00330402
                               2     -0.00105191  3     -0.00418338
                               4     -0.00526566  5      0.00050709
                               6      0.00001555
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.13064853

     ex.-cor. contribution :   0   -339.70116467  1      0.01211636
                               2     -0.00317895  3     -0.01486126
                               4     -0.01437444  5      0.00224762
                               6     -0.00001409
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.71922944

     eff. pot. contribution     : -10303.68087206
     total double counting contribution                 :  -5343.26945297

   Total contribution of atom 14 =-13580.30981794
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67231090 p = -1151.01989441
                                d =  -209.47700369
       valence  contribution :  s =    -0.60052160 p =    -0.21724374
                                d =    -0.01367149 f =    -0.00361869
                                ns      0.00136023
     single particle energies  spin  up    
         core   contribution :  s = -2756.17010850 p = -1152.14014533
                                d =  -210.71902823
       valence  contribution :  s =    -0.68711290 p =    -0.30407032
                                d =    -0.01458105 f =    -0.00369531
                                ns      0.00128095
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.04036498
                                   band energy per atom :   -1.8418739288

     coulomb  contribution :   0   5300.14393096  1     -0.00330402
                               2     -0.00105191  3     -0.00418338
                               4     -0.00526566  5      0.00050709
                               6      0.00001555
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.13064863

     ex.-cor. contribution :   0   -339.70116469  1      0.01211636
                               2     -0.00317896  3     -0.01485905
                               4     -0.01437679  5      0.00224762
                               6     -0.00001409
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.71922961

     eff. pot. contribution     : -10303.68087215
     total double counting contribution                 :  -5343.26945313

   Total contribution of atom 15 =-13580.30981811
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68915402 p = -1151.05870723
                                d =  -209.52181942
       valence  contribution :  s =    -0.60590007 p =    -0.22277727
                                d =    -0.01335544 f =    -0.00347956
                                ns      0.00014350
     single particle energies  spin  up    
         core   contribution :  s = -2756.18689870 p = -1152.17881393
                                d =  -210.76357944
       valence  contribution :  s =    -0.69209399 p =    -0.31113774
                                d =    -0.01459284 f =    -0.00373310
                                ns      0.00031896
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.26558029
                                   band energy per atom :   -1.8666075484

     coulomb  contribution :   0   5302.61966040  1      0.00225069
                               2     -0.00144540  3     -0.00416877
                               4     -0.00583458  5      0.00061337
                               6     -0.00001833
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.61105738

     ex.-cor. contribution :   0   -339.76747356  1      0.01196126
                               2     -0.00380487  3     -0.01369422
                               4     -0.01394590  5      0.00204246
                               6     -0.00003475
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78494959

     eff. pot. contribution     : -10305.92081688
     total double counting contribution                 :  -5343.09470909

   Total contribution of atom 16 =-13580.36028938
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68908293 p = -1151.05854675
                                d =  -209.52164073
       valence  contribution :  s =    -0.60587712 p =    -0.22279771
                                d =    -0.01335482 f =    -0.00347911
                                ns      0.00014112
     single particle energies  spin  up    
         core   contribution :  s = -2756.18682755 p = -1152.17865335
                                d =  -210.76340054
       valence  contribution :  s =    -0.69206764 p =    -0.31116113
                                d =    -0.01459256 f =    -0.00373267
                                ns      0.00031654
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.26475695
                                   band energy per atom :   -1.8666050955

     coulomb  contribution :   0   5302.61642520  1      0.00223783
                               2     -0.00143503  3     -0.00417072
                               4     -0.00583271  5      0.00061260
                               6     -0.00001823
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.60781893

     ex.-cor. contribution :   0   -339.76744067  1      0.01195951
                               2     -0.00379242  3     -0.01368574
                               4     -0.01395982  5      0.00204237
                               6     -0.00003465
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78491142

     eff. pot. contribution     : -10305.91873676
     total double counting contribution                 :  -5343.09582925

   Total contribution of atom 17 =-13580.36058620
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68908291 p = -1151.05854675
                                d =  -209.52164073
       valence  contribution :  s =    -0.60587712 p =    -0.22279771
                                d =    -0.01335482 f =    -0.00347911
                                ns      0.00014112
     single particle energies  spin  up    
         core   contribution :  s = -2756.18682757 p = -1152.17865336
                                d =  -210.76340055
       valence  contribution :  s =    -0.69206764 p =    -0.31116113
                                d =    -0.01459256 f =    -0.00373267
                                ns      0.00031654
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.26475697
                                   band energy per atom :   -1.8666050971

     coulomb  contribution :   0   5302.61642532  1      0.00223783
                               2     -0.00143503  3     -0.00417072
                               4     -0.00583271  5      0.00061260
                               6     -0.00001823
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.60781905

     ex.-cor. contribution :   0   -339.76744067  1      0.01195951
                               2     -0.00379248  3     -0.01369034
                               4     -0.01395628  5      0.00204237
                               6     -0.00003465
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78491254

     eff. pot. contribution     : -10305.91873687
     total double counting contribution                 :  -5343.09583036

   Total contribution of atom 18 =-13580.36058733
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68915403 p = -1151.05870723
                                d =  -209.52181942
       valence  contribution :  s =    -0.60590007 p =    -0.22277727
                                d =    -0.01335544 f =    -0.00347956
                                ns      0.00014350
     single particle energies  spin  up    
         core   contribution :  s = -2756.18689869 p = -1152.17881393
                                d =  -210.76357944
       valence  contribution :  s =    -0.69209399 p =    -0.31113774
                                d =    -0.01459284 f =    -0.00373310
                                ns      0.00031896
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.26558030
                                   band energy per atom :   -1.8666075503

     coulomb  contribution :   0   5302.61966068  1      0.00225069
                               2     -0.00144540  3     -0.00416877
                               4     -0.00583458  5      0.00061337
                               6     -0.00001833
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.61105766

     ex.-cor. contribution :   0   -339.76747357  1      0.01196126
                               2     -0.00380482  3     -0.01368601
                               4     -0.01395424  5      0.00204246
                               6     -0.00003475
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78494968

     eff. pot. contribution     : -10305.92081715
     total double counting contribution                 :  -5343.09470917

   Total contribution of atom 19 =-13580.36028948
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68914252 p = -1151.05868130
                                d =  -209.52179065
       valence  contribution :  s =    -0.60589107 p =    -0.22283502
                                d =    -0.01335321 f =    -0.00347860
                                ns      0.00014450
     single particle energies  spin  up    
         core   contribution :  s = -2756.18688725 p = -1152.17878816
                                d =  -210.76355095
       valence  contribution :  s =    -0.69208321 p =    -0.31119804
                                d =    -0.01459052 f =    -0.00373201
                                ns      0.00031933
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.26553869
                                   band energy per atom :   -1.8666978582

     coulomb  contribution :   0   5302.62098878  1      0.00223342
                               2     -0.00143437  3     -0.00416600
                               4     -0.00583716  5      0.00061295
                               6     -0.00001818
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.61237944

     ex.-cor. contribution :   0   -339.76756871  1      0.01195658
                               2     -0.00378959  3     -0.01367434
                               4     -0.01396836  5      0.00204285
                               6     -0.00003461
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78503618

     eff. pot. contribution     : -10305.92233992
     total double counting contribution                 :  -5343.09499666

   Total contribution of atom 20 =-13580.36053535
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68914251 p = -1151.05868130
                                d =  -209.52179065
       valence  contribution :  s =    -0.60589107 p =    -0.22283502
                                d =    -0.01335321 f =    -0.00347860
                                ns      0.00014450
     single particle energies  spin  up    
         core   contribution :  s = -2756.18688726 p = -1152.17878816
                                d =  -210.76355095
       valence  contribution :  s =    -0.69208321 p =    -0.31119804
                                d =    -0.01459052 f =    -0.00373201
                                ns      0.00031933
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.26553869
                                   band energy per atom :   -1.8666978579

     coulomb  contribution :   0   5302.62098861  1      0.00223342
                               2     -0.00143437  3     -0.00416600
                               4     -0.00583716  5      0.00061295
                               6     -0.00001818
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.61237927

     ex.-cor. contribution :   0   -339.76756873  1      0.01195658
                               2     -0.00378959  3     -0.01367493
                               4     -0.01396838  5      0.00204285
                               6     -0.00003461
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.78503680

     eff. pot. contribution     : -10305.92233975
     total double counting contribution                 :  -5343.09499728

   Total contribution of atom 21 =-13580.36053597
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64531815 p = -1150.95669212
                                d =  -209.39687048
       valence  contribution :  s =    -0.58928964 p =    -0.20441677
                                d =    -0.01162636 f =    -0.00313445
                                ns     -0.00898092
     single particle energies  spin  up    
         core   contribution :  s = -2756.14307985 p = -1152.07687753
                                d =  -210.63970006
       valence  contribution :  s =    -0.67891257 p =    -0.29673950
                                d =    -0.01285435 f =    -0.00341013
                                ns     -0.00954316
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.67744602
                                   band energy per atom :   -1.8189078268

     coulomb  contribution :   0   5314.62384766  1     -0.00012400
                               2     -0.00326625  3     -0.00001568
                               4     -0.00709468  5      0.00000017
                               6      0.00001851
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.61336573

     ex.-cor. contribution :   0   -339.80194725  1     -0.00004880
                               2     -0.00932391  3     -0.00073148
                               4     -0.03824317  5     -0.00000037
                               6      0.00016052
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.85013445

     eff. pot. contribution     : -10318.60091380
     total double counting contribution                 :  -5343.83768252

   Total contribution of atom 22 =-13580.51512853
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64529966 p = -1150.95665126
                                d =  -209.39682657
       valence  contribution :  s =    -0.58928609 p =    -0.20441349
                                d =    -0.01162583 f =    -0.00313395
                                ns     -0.00898187
     single particle energies  spin  up    
         core   contribution :  s = -2756.14306134 p = -1152.07683647
                                d =  -210.63965578
       valence  contribution :  s =    -0.67890900 p =    -0.29673237
                                d =    -0.01285461 f =    -0.00340998
                                ns     -0.00954357
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.67722185
                                   band energy per atom :   -1.8188907626

     coulomb  contribution :   0   5314.62682554  1     -0.00012410
                               2     -0.00325552  3     -0.00001588
                               4     -0.00709420  5      0.00000015
                               6      0.00001850
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.61635449

     ex.-cor. contribution :   0   -339.80202602  1     -0.00004886
                               2     -0.00932283  3     -0.00069096
                               4     -0.03823812  5     -0.00000037
                               6      0.00016056
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.85016659

     eff. pot. contribution     : -10318.60417403
     total double counting contribution                 :  -5343.83798614

   Total contribution of atom 23 =-13580.51520798
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64529971 p = -1150.95665126
                                d =  -209.39682657
       valence  contribution :  s =    -0.58928609 p =    -0.20441349
                                d =    -0.01162583 f =    -0.00313395
                                ns     -0.00898187
     single particle energies  spin  up    
         core   contribution :  s = -2756.14306129 p = -1152.07683647
                                d =  -210.63965578
       valence  contribution :  s =    -0.67890900 p =    -0.29673237
                                d =    -0.01285461 f =    -0.00340998
                                ns     -0.00954357
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.67722184
                                   band energy per atom :   -1.8188907628

     coulomb  contribution :   0   5314.62682552  1     -0.00012410
                               2     -0.00325552  3     -0.00001588
                               4     -0.00709420  5      0.00000015
                               6      0.00001850
     --------------------------------------------------------------------
     tot. coulomb contribution :   5314.61635447

     ex.-cor. contribution :   0   -339.80202598  1     -0.00004886
                               2     -0.00932337  3     -0.00068996
                               4     -0.03824758  5     -0.00000037
                               6      0.00016056
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.85017556

     eff. pot. contribution     : -10318.60417401
     total double counting contribution                 :  -5343.83799510

   Total contribution of atom 24 =-13580.51521694
                                   sum of band energies :  -31.3976315332
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.71823517
                                eV  : -3231101.55036413
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 19:59:24:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            8
25.03.2020 19:59:24:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is  -3.379956407640079E-011  6.049802692761597E-007
  0.397688954454100     
 magnetic moment2 is  -3.380064982525544E-011  6.049802703751485E-007
 -0.236339315736506     
 magnetic moment is   6.306681175557993E-011  3.735569723829107E-004
  4.462802758888107E-002
 magnetic moment2 is   6.306681175557993E-011  3.735569723829107E-004
 -1.651562944148083E-002
 magnetic moment is   3.260507614489684E-004 -1.847979283794861E-004
  4.463447316088098E-002
 magnetic moment2 is   3.260507614489684E-004 -1.847979283794861E-004
 -1.651624065206508E-002
 magnetic moment is  -3.260507779784965E-004 -1.847980168467685E-004
  4.463447359481632E-002
 magnetic moment2 is  -3.260507779784965E-004 -1.847980168467685E-004
 -1.651624048268585E-002
 magnetic moment is  -1.533787279042048E-011 -6.233933279092105E-004
  4.822542335872915E-002
 magnetic moment2 is  -1.533787279042048E-011 -6.233933279092105E-004
 -1.952525594195405E-002
 magnetic moment is  -5.387699511641464E-004  3.099412797632040E-004
  4.818854258588912E-002
 magnetic moment2 is  -5.387699511641464E-004  3.099412797632040E-004
 -1.955787908544699E-002
 magnetic moment is   5.387700876860786E-004  3.099413612683468E-004
  4.818854394846606E-002
 magnetic moment2 is   5.387700876860786E-004  3.099413612683468E-004
 -1.955787790593190E-002
 magnetic moment is  -2.871995416296745E-011 -1.287493608994153E-006
  4.812788591441697E-002
 magnetic moment2 is  -2.871995416296745E-011 -1.287493608994153E-006
 -2.013775349297492E-002
 magnetic moment is  -3.007384839206692E-010 -1.980304484888844E-003
  0.162749164085770     
 magnetic moment2 is  -3.007516644580599E-010 -1.984461388851978E-003
 -0.113312230173815     
 magnetic moment is  -1.718033893863860E-003  9.884367698318299E-004
  0.162722137411848     
 magnetic moment2 is  -1.721634836940539E-003  9.905133703100298E-004
 -0.113340748889872     
 magnetic moment is   1.718033793067679E-003  9.884368193386660E-004
  0.162722141700176     
 magnetic moment2 is   1.721634736321145E-003  9.905134197087007E-004
 -0.113340744776618     
 magnetic moment is   2.986494140300939E-011  2.410705695121384E-008
  5.574762355881580E-002
 magnetic moment2 is   2.986494140300939E-011  2.410705695121384E-008
 -1.011462171174127E-002
 magnetic moment is   1.042817714775809E-010  4.942658456748707E-004
  0.281719809945171     
 magnetic moment2 is   1.042808685540117E-010  4.950168539761009E-004
  2.159110010182948E-002
 magnetic moment is   4.279130243077729E-004 -2.484006966026857E-004
  0.281694852056430     
 magnetic moment2 is   4.285709874222446E-004 -2.487839753307062E-004
  2.156745178269687E-002
 magnetic moment is  -4.279129589847758E-004 -2.484007490919010E-004
  0.281694852221055     
 magnetic moment2 is  -4.285709222109093E-004 -2.487840278131727E-004
  2.156745195576185E-002
 magnetic moment is  -6.077578633886694E-004  1.033818430774365E-003
  0.253067513636403     
 magnetic moment2 is  -6.077222592153045E-004  1.033728462823638E-003
 -5.644020380685177E-003
 magnetic moment is   5.936890648524124E-004 -1.041710445452138E-003
  0.253025288639728     
 magnetic moment2 is   5.936302865487370E-004 -1.041633047882271E-003
 -5.687442679418453E-003
 magnetic moment is  -5.936889428409466E-004 -1.041710176007812E-003
  0.253025290306703     
 magnetic moment2 is  -5.936301645569110E-004 -1.041632778441927E-003
 -5.687441012379654E-003
 magnetic moment is   6.077581099812098E-004  1.033818406659891E-003
  0.253067510649628     
 magnetic moment2 is   6.077225057825876E-004  1.033728438721827E-003
 -5.644023306770551E-003
 magnetic moment is   1.194953844612124E-003  8.761281793144299E-006
  0.253094132789669     
 magnetic moment2 is   1.194854819087190E-003  8.767310757558378E-006
 -5.618296217401814E-003
 magnetic moment is  -1.194953492735393E-003  8.761093142906724E-006
  0.253094137407490     
 magnetic moment2 is  -1.194854467225117E-003  8.767122105707509E-006
 -5.618291661085989E-003
 magnetic moment is  -1.342195943688888E-010 -4.705425727156616E-004
  0.264400084741102     
 magnetic moment2 is  -1.342645263090018E-010 -4.706316861878715E-004
 -1.290751387208511E-002
 magnetic moment is  -4.030290457875438E-004  2.358767151622945E-004
  0.264323851617055     
 magnetic moment2 is  -4.030244721246374E-004  2.358740878249795E-004
 -1.298332829881960E-002
 magnetic moment is   4.030290882065571E-004  2.358768413923544E-004
  0.264323855657890     
 magnetic moment2 is   4.030245145428999E-004  2.358742140553123E-004
 -1.298332427779492E-002
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.38814949  0.42052108    0.0324
          p =  0.10259783  0.13050769    0.0279
          d =  3.96022882  4.29648528    0.3363
          f =  0.00897854  0.00999669    0.0010
          ns  -0.01889399 -0.01876110    0.0001
          ------------------------------------
          TOT  4.44106069  4.83874965    0.3977
                           9.27981034
   ========================== 
      2   s =  0.23779292  0.25803537    0.0202
          p =  0.31119166  0.33061753    0.0194
          d =  0.16503631  0.17660591    0.0116
          f =  0.06187316  0.06906417    0.0072
          ns  -0.11913797 -0.13293887   -0.0138
          ------------------------------------
          TOT  0.65675607  0.70138410    0.0446
                           1.35814018
   ========================== 
      3   s =  0.23767615  0.25794576    0.0203
          p =  0.31091513  0.33034956    0.0194
          d =  0.16487416  0.17641981    0.0115
          f =  0.06181802  0.06899141    0.0072
          ns  -0.11890960 -0.13269821   -0.0138
          ------------------------------------
          TOT  0.65637385  0.70100833    0.0446
                           1.35738218
   ========================== 
      4   s =  0.23767615  0.25794576    0.0203
          p =  0.31091513  0.33034956    0.0194
          d =  0.16487416  0.17641981    0.0115
          f =  0.06181802  0.06899141    0.0072
          ns  -0.11890960 -0.13269821   -0.0138
          ------------------------------------
          TOT  0.65637385  0.70100832    0.0446
                           1.35738217
   ========================== 
      5   s =  0.15591801  0.17546668    0.0195
          p =  0.20616926  0.22434538    0.0182
          d =  0.10636463  0.11586653    0.0095
          f =  0.03670295  0.04096846    0.0043
          ns  -0.02380261 -0.02706939   -0.0033
          ------------------------------------
          TOT  0.48135224  0.52957766    0.0482
                           1.01092990
   ========================== 
      6   s =  0.15586055  0.17539505    0.0195
          p =  0.20616734  0.22432313    0.0182
          d =  0.10640178  0.11589751    0.0095
          f =  0.03671256  0.04097933    0.0043
          ns  -0.02380300 -0.02706725   -0.0033
          ------------------------------------
          TOT  0.48133923  0.52952777    0.0482
                           1.01086699
   ========================== 
      7   s =  0.15586055  0.17539505    0.0195
          p =  0.20616734  0.22432313    0.0182
          d =  0.10640178  0.11589751    0.0095
          f =  0.03671256  0.04097933    0.0043
          ns  -0.02380300 -0.02706725   -0.0033
          ------------------------------------
          TOT  0.48133923  0.52952777    0.0482
                           1.01086699
   ========================== 
      8   s =  0.20729377  0.22668460    0.0194
          p =  0.27964457  0.29844471    0.0188
          d =  0.14069436  0.15334053    0.0126
          f =  0.03949578  0.04647816    0.0070
          ns  -0.04142295 -0.05111459   -0.0097
          ------------------------------------
          TOT  0.62570553  0.67383342    0.0481
                           1.29953895
   ========================== 
      9   s =  0.80727030  0.85038936    0.0431
          p =  0.76578889  0.87954050    0.1138
          d =  0.08526063  0.08970921    0.0044
          f =  0.02084375  0.02190197    0.0011
          ns   0.01058806  0.01095976    0.0004
          ------------------------------------
          TOT  1.68975163  1.85250079    0.1627
                           3.54225242
   ========================== 
     10   s =  0.80727471  0.85040274    0.0431
          p =  0.76550374  0.87921131    0.1137
          d =  0.08526027  0.08971405    0.0045
          f =  0.02085246  0.02191108    0.0011
          ns   0.01060249  0.01097661    0.0004
          ------------------------------------
          TOT  1.68949366  1.85221580    0.1627
                           3.54170946
   ========================== 
     11   s =  0.80727471  0.85040274    0.0431
          p =  0.76550374  0.87921132    0.1137
          d =  0.08526027  0.08971405    0.0045
          f =  0.02085246  0.02191108    0.0011
          ns   0.01060249  0.01097661    0.0004
          ------------------------------------
          TOT  1.68949366  1.85221580    0.1627
                           3.54170946
   ========================== 
     12   s =  0.22760747  0.25152662    0.0239
          p =  0.30265290  0.32758973    0.0249
          d =  0.15570480  0.17106990    0.0154
          f =  0.05008302  0.05765185    0.0076
          ns  -0.11029203 -0.12633430   -0.0160
          ------------------------------------
          TOT  0.62575617  0.68150379    0.0557
                           1.30725996
   ========================== 
     13   s =  0.84402109  0.86333886    0.0193
          p =  1.19740335  1.46061143    0.2632
          d =  0.05006058  0.05064353    0.0006
          f =  0.01186516  0.01193236    0.0001
          ns   0.00237163  0.00091544   -0.0015
          ------------------------------------
          TOT  2.10572181  2.38744162    0.2817
                           4.49316343
   ========================== 
     14   s =  0.84400570  0.86333056    0.0193
          p =  1.19740422  1.46058082    0.2632
          d =  0.05006247  0.05064529    0.0006
          f =  0.01186667  0.01193297    0.0001
          ns   0.00238176  0.00092604   -0.0015
          ------------------------------------
          TOT  2.10572082  2.38741567    0.2817
                           4.49313649
   ========================== 
     15   s =  0.84400570  0.86333056    0.0193
          p =  1.19740422  1.46058082    0.2632
          d =  0.05006247  0.05064529    0.0006
          f =  0.01186667  0.01193297    0.0001
          ns   0.00238176  0.00092604   -0.0015
          ------------------------------------
          TOT  2.10572082  2.38741567    0.2817
                           4.49313650
   ========================== 
     16   s =  0.84471338  0.86428926    0.0196
          p =  1.23852498  1.47131494    0.2328
          d =  0.04954032  0.05110163    0.0016
          f =  0.01162428  0.01206568    0.0004
          ns   0.00403601  0.00273498   -0.0013
          ------------------------------------
          TOT  2.14843898  2.40150649    0.2531
                           4.54994546
   ========================== 
     17   s =  0.84468515  0.86426312    0.0196
          p =  1.23857414  1.47131691    0.2327
          d =  0.04954185  0.05110509    0.0016
          f =  0.01162115  0.01206335    0.0004
          ns   0.00404346  0.00274257   -0.0013
          ------------------------------------
          TOT  2.14846575  2.40149104    0.2530
                           4.54995678
   ========================== 
     18   s =  0.84468515  0.86426312    0.0196
          p =  1.23857414  1.47131691    0.2327
          d =  0.04954185  0.05110509    0.0016
          f =  0.01162115  0.01206335    0.0004
          ns   0.00404346  0.00274257   -0.0013
          ------------------------------------
          TOT  2.14846575  2.40149104    0.2530
                           4.54995679
   ========================== 
     19   s =  0.84471338  0.86428926    0.0196
          p =  1.23852499  1.47131494    0.2328
          d =  0.04954032  0.05110163    0.0016
          f =  0.01162428  0.01206568    0.0004
          ns   0.00403601  0.00273498   -0.0013
          ------------------------------------
          TOT  2.14843898  2.40150649    0.2531
                           4.54994547
   ========================== 
     20   s =  0.84468017  0.86426417    0.0196
          p =  1.23861335  1.47141843    0.2328
          d =  0.04954543  0.05110985    0.0016
          f =  0.01162357  0.01206420    0.0004
          ns   0.00403805  0.00273806   -0.0013
          ------------------------------------
          TOT  2.14850057  2.40159471    0.2531
                           4.55009528
   ========================== 
     21   s =  0.84468017  0.86426417    0.0196
          p =  1.23861335  1.47141843    0.2328
          d =  0.04954543  0.05110985    0.0016
          f =  0.01162357  0.01206420    0.0004
          ns   0.00403805  0.00273806   -0.0013
          ------------------------------------
          TOT  2.14850057  2.40159471    0.2531
                           4.55009527
   ========================== 
     22   s =  0.83523991  0.85765676    0.0224
          p =  1.27036681  1.51209512    0.2417
          d =  0.04752051  0.04962800    0.0021
          f =  0.01203676  0.01230378    0.0003
          ns   0.02360332  0.02148373   -0.0021
          ------------------------------------
          TOT  2.18876731  2.45316740    0.2644
                           4.64193471
   ========================== 
     23   s =  0.83524534  0.85766106    0.0224
          p =  1.27043524  1.51208830    0.2417
          d =  0.04752280  0.04962933    0.0021
          f =  0.01203568  0.01230514    0.0003
          ns   0.02360548  0.02148457   -0.0021
          ------------------------------------
          TOT  2.18884454  2.45316839    0.2643
                           4.64201293
   ========================== 
     24   s =  0.83524534  0.85766106    0.0224
          p =  1.27043523  1.51208830    0.2417
          d =  0.04752280  0.04962933    0.0021
          f =  0.01203568  0.01230514    0.0003
          ns   0.02360548  0.02148457   -0.0021
          ------------------------------------
          TOT  2.18884454  2.45316839    0.2643
                           4.64201293
 
############################################
 
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   77.279808
       spin moment in wigner seitz cell =    0.397689
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     0.279808
                              spin magnetic moment =     0.397689
 
  Atom    2 charge in wigner seitz cell =    1.358138
       spin moment in wigner seitz cell =    0.044628
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.358138
                              spin magnetic moment =     0.044628
 
  Atom    3 charge in wigner seitz cell =    1.357380
       spin moment in wigner seitz cell =    0.044634
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.357380
                              spin magnetic moment =     0.044634
 
  Atom    4 charge in wigner seitz cell =    1.357380
       spin moment in wigner seitz cell =    0.044634
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.357380
                              spin magnetic moment =     0.044634
 
  Atom    5 charge in wigner seitz cell =    1.010929
       spin moment in wigner seitz cell =    0.048225
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.010929
                              spin magnetic moment =     0.048225
 
  Atom    6 charge in wigner seitz cell =    1.010866
       spin moment in wigner seitz cell =    0.048188
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.010866
                              spin magnetic moment =     0.048188
 
  Atom    7 charge in wigner seitz cell =    1.010866
       spin moment in wigner seitz cell =    0.048188
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.010866
                              spin magnetic moment =     0.048188
 
  Atom    8 charge in wigner seitz cell =    1.299535
       spin moment in wigner seitz cell =    0.048128
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.299535
                              spin magnetic moment =     0.048128
 
  Atom    9 charge in wigner seitz cell =   49.542250
       spin moment in wigner seitz cell =    0.162749
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.457750
                              spin magnetic moment =     0.162749
 
  Atom   10 charge in wigner seitz cell =   49.541707
       spin moment in wigner seitz cell =    0.162722
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.458293
                              spin magnetic moment =     0.162722
 
  Atom   11 charge in wigner seitz cell =   49.541707
       spin moment in wigner seitz cell =    0.162722
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.458293
                              spin magnetic moment =     0.162722
 
  Atom   12 charge in wigner seitz cell =    1.307258
       spin moment in wigner seitz cell =    0.055748
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =     1.307258
                              spin magnetic moment =     0.055748
 
  Atom   13 charge in wigner seitz cell =   50.493161
       spin moment in wigner seitz cell =    0.281720
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.506839
                              spin magnetic moment =     0.281720
 
  Atom   14 charge in wigner seitz cell =   50.493134
       spin moment in wigner seitz cell =    0.281695
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.506866
                              spin magnetic moment =     0.281695
 
  Atom   15 charge in wigner seitz cell =   50.493134
       spin moment in wigner seitz cell =    0.281695
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.506866
                              spin magnetic moment =     0.281695
 
  Atom   16 charge in wigner seitz cell =   50.549943
       spin moment in wigner seitz cell =    0.253067
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.450057
                              spin magnetic moment =     0.253067
 
  Atom   17 charge in wigner seitz cell =   50.549954
       spin moment in wigner seitz cell =    0.253025
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.450046
                              spin magnetic moment =     0.253025
 
  Atom   18 charge in wigner seitz cell =   50.549954
       spin moment in wigner seitz cell =    0.253025
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.450046
                              spin magnetic moment =     0.253025
 
  Atom   19 charge in wigner seitz cell =   50.549943
       spin moment in wigner seitz cell =    0.253067
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.450057
                              spin magnetic moment =     0.253067
 
  Atom   20 charge in wigner seitz cell =   50.550093
       spin moment in wigner seitz cell =    0.253094
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.449907
                              spin magnetic moment =     0.253094
 
  Atom   21 charge in wigner seitz cell =   50.550093
       spin moment in wigner seitz cell =    0.253094
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.449907
                              spin magnetic moment =     0.253094
 
  Atom   22 charge in wigner seitz cell =   50.641933
       spin moment in wigner seitz cell =    0.264400
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.358067
                              spin magnetic moment =     0.264400
 
  Atom   23 charge in wigner seitz cell =   50.642011
       spin moment in wigner seitz cell =    0.264324
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.357989
                              spin magnetic moment =     0.264324
 
  Atom   24 charge in wigner seitz cell =   50.642011
       spin moment in wigner seitz cell =    0.264324
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   8 charge neutrality in unit cell =    -1.357989
                              spin magnetic moment =     0.264324
 
                    TOTAL mag. moment in unit cell =     4.424787
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:02:57:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:57:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  5.4640D-01  ,  v+ - v- =  3.4201D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.1579D-01  ,  v+ - v- =  2.4082D-03
      rms-error for atom  2 :v+ + v- =  9.1596D-03  ,  v+ - v- =  3.5881D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  9.0065D-02  ,  v+ - v- =  1.3669D-03
      rms-error for atom  3 :v+ + v- =  9.2157D-03  ,  v+ - v- =  3.5878D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  9.0505D-02  ,  v+ - v- =  1.3713D-03
      rms-error for atom  4 :v+ + v- =  9.2157D-03  ,  v+ - v- =  3.5878D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  9.0505D-02  ,  v+ - v- =  1.3713D-03
      rms-error for atom  5 :v+ + v- =  4.0398D-02  ,  v+ - v- =  4.2246D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  7.2318D-02  ,  v+ - v- =  8.3100D-04
      rms-error for atom  6 :v+ + v- =  4.0217D-02  ,  v+ - v- =  4.2248D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  7.2593D-02  ,  v+ - v- =  8.3130D-04
      rms-error for atom  7 :v+ + v- =  4.0217D-02  ,  v+ - v- =  4.2248D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  7.2593D-02  ,  v+ - v- =  8.3130D-04
      rms-error for atom  8 :v+ + v- =  3.8582D-02  ,  v+ - v- =  3.9166D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  7.8572D-02  ,  v+ - v- =  1.5096D-03
      rms-error for atom  9 :v+ + v- =  6.2781D-02  ,  v+ - v- =  4.1918D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  6.8447D-02  ,  v+ - v- =  7.9323D-04
      rms-error for atom 10 :v+ + v- =  6.2901D-02  ,  v+ - v- =  4.1919D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  6.8573D-02  ,  v+ - v- =  7.9278D-04
      rms-error for atom 11 :v+ + v- =  6.2901D-02  ,  v+ - v- =  4.1919D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  6.8573D-02  ,  v+ - v- =  7.9278D-04
      rms-error for atom 12 :v+ + v- =  7.4993D-02  ,  v+ - v- =  3.5321D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  4.4647D-02  ,  v+ - v- =  1.3268D-03
      rms-error for atom 13 :v+ + v- =  1.0154D-01  ,  v+ - v- =  3.3934D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  3.2629D-02  ,  v+ - v- =  1.0160D-03
      rms-error for atom 14 :v+ + v- =  1.0167D-01  ,  v+ - v- =  3.3934D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  3.2877D-02  ,  v+ - v- =  1.0164D-03
      rms-error for atom 15 :v+ + v- =  1.0167D-01  ,  v+ - v- =  3.3934D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  3.2877D-02  ,  v+ - v- =  1.0164D-03
      rms-error for atom 16 :v+ + v- =  9.8267D-02  ,  v+ - v- =  3.4312D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  3.1542D-02  ,  v+ - v- =  1.0544D-03
      rms-error for atom 17 :v+ + v- =  9.8121D-02  ,  v+ - v- =  3.4313D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  3.1583D-02  ,  v+ - v- =  1.0465D-03
      rms-error for atom 18 :v+ + v- =  9.8121D-02  ,  v+ - v- =  3.4313D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  3.1583D-02  ,  v+ - v- =  1.0465D-03
      rms-error for atom 19 :v+ + v- =  9.8267D-02  ,  v+ - v- =  3.4312D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  3.1542D-02  ,  v+ - v- =  1.0544D-03
      rms-error for atom 20 :v+ + v- =  9.8236D-02  ,  v+ - v- =  3.4312D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  3.1540D-02  ,  v+ - v- =  1.0605D-03
      rms-error for atom 21 :v+ + v- =  9.8236D-02  ,  v+ - v- =  3.4312D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  3.1540D-02  ,  v+ - v- =  1.0605D-03
      rms-error for atom 22 :v+ + v- =  1.0323D-01  ,  v+ - v- =  3.7370D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  3.0572D-02  ,  v+ - v- =  7.6163D-04
      rms-error for atom 23 :v+ + v- =  1.0317D-01  ,  v+ - v- =  3.7372D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  3.0689D-02  ,  v+ - v- =  7.6107D-04
      rms-error for atom 24 :v+ + v- =  1.0317D-01  ,  v+ - v- =  3.7372D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  3.0689D-02  ,  v+ - v- =  7.6107D-04
      ITERATION   8 average rms-error : v+ + v- =  1.4880D-01
                                        v+ - v- =  3.7181D-02
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.358689501520821E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.769279902591232E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.595525773209229E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.920915157139987E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.541221519715529E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.539371943499745E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.403830606785880E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.013190987396390E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.075011722269349E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.243791452048313E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.341135814965485E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.657410554362547E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  7.166514543247033E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.375772302551213E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.996810684937096E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.311411329784081E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.828860290298589E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  2.835712851015958E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.575119888551966E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.431732660589051E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.376469423305285E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  9.539705432522090E-007
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  9.099862077734271E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.067401056853411E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.953056458396330E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.670329383412149E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.326549490848855E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.170565974587354E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.333990314936930E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  8.013434962222620E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.215257663934729E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.136363359623907E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.445326293780676E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.346413398807124E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.167635587497508E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  7.638356301524052E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.040381261255301E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  3.183843787626701E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  5.840831720195755E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.446762379123895E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  8.152755712899611E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  2.008082962370070E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  7.796255239465460E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.289016009520515E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.244482357836373E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.029254803325223E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.718935075059710E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.308543906209489E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  7.246171501913716E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  1.234218457039778E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.962318444176413E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.894942034436122E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  6.856059817853837E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.079358199352358E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  1.676862573162223E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.227267378761626E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  9.943673102310979E-011
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.121236140254901E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  9.323228174209532E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.537852284219896E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.673719756832155E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  1.651271905294315E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.446319884965878E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  1.065874129348136E-003
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  1.846658193360102E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  5.857156614127412E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  1.595233543823076E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  6.178448857448233E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  1.070504748592177E-003
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  1.304081012496927E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  2.838799793858198E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  5.434836988487697E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  8.390714928464304E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  8.086044983993026E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  1.059963977011158E-003
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  4.657645499320935E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  3.023711488718992E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  9.315542248371819E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  1.452222966182215E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  1.651271778956664E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  2.445945594961710E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  1.065874097535707E-003
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  1.846658273291401E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  5.851079251423048E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  1.595233490686348E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  6.178448648779701E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  1.070504723348648E-003
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  1.304080964684527E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  2.839068829805538E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  5.433692206508979E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  8.390714793933909E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  8.086044863027199E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  1.059963936623615E-003
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  4.657645382816795E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  3.023428809342945E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  9.315541904833629E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  1.452223047986944E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  2.442798765568987E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  4.099181366956269E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.730698542179742E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  1.861432540686619E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.015261894310148E-010
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  1.923721341288635E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  2.369898543285606E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  1.156140550068337E-010
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.283804614303881E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.036268746843074E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  1.669637045627215E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.436729670261940E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  1.106824013449991E-003
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  2.945591859347018E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  1.526835846183818E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  2.578015076624895E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  1.463222164292412E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  1.590184333221583E-011
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  4.673908302094798E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  3.427858211621376E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  2.566220888803282E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  2.322319851521061E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.123894941952172E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.288307917360009E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  8.580325721412350E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  5.094704169776182E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  5.781429276231424E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  1.726263005117226E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.743231394297035E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  1.445188193917014E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.780939638497167E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  1.861282630350867E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  6.973502559244342E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  1.925423422665701E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  1.420081062795798E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  5.229888216340617E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  1.320773619022504E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  9.569247973111784E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  8.342764802866202E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  1.444351487266715E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  5.525488016960316E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.097934896638338E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  7.625596577404874E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  8.628452998237121E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  1.463775004192217E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  4.675409548744454E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  7.486350833580900E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.190991969030619E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  6.313462982597695E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  1.076600811465258E-003
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.251508568400431E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  1.493233411937573E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  2.544702838273127E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  4.421682702605852E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  8.627518192991114E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.364122725538152E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  7.224154034548909E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  1.864860921593795E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  1.861282567162013E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  6.973502267360993E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  1.925423364710601E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  1.420081027096576E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  5.229834190227022E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  1.320773729480544E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  9.569248381615615E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  8.342764605573464E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  1.444351617536621E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  5.525488001260170E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.098641445693688E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  7.625596480188336E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  8.628452713827340E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  1.463774961338588E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  4.675409317679468E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  7.486350528391045E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.190979942559950E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  6.314789096083846E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  1.076600794528482E-003
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.251508802008743E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  1.493233456483249E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  2.544702654898021E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  4.421684168243451E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  8.627518046838089E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.363960782628566E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  7.224153826665279E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  1.864861175029910E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.123840712741618E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.185382983874004E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.490140058020638E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  6.383581817745188E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.705402669716626E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.218615950449796E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.026660581816191E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.639084147465366E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.168474239980364E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.128563013626334E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.182333874125783E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.559470000799026E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.541250710916691E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  7.890773309935510E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.914334862078843E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.617576566385037E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.745851893774342E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.333499226483594E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.909399860545500E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.621197835212865E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.853023633096711E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.363928211546270E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.609701107955122E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.232411949405515E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.287566026040898E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.555806792061255E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.685784547506561E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164567456446038E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.050721451793400E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  9.584054366904730E-011
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.619552295813915E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.068171361525811E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.209307039802267E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.547315559149879E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.455461733327703E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.287444320944835E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.218297589497731E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  1.209784715644525E-010
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.537016361202315E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.522461355450390E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  9.027119873533432E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  1.219723221293286E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  1.969409029575766E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  2.314174967674533E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.303587007341068E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.652325782065225E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  1.041357244872604E-003
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  6.359694333354992E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  1.032398086293274E-003
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  7.416460253414203E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  9.133533129150555E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  9.157004688756098E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  8.562590901710191E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  1.877055024915244E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  4.960829986866229E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  9.320114911335219E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  9.636438727135614E-012
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.734015873731588E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.600735831180577E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  4.926660661572237E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  7.827624154520227E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  6.008536324283116E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  1.485422459168219E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.505050135785984E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  1.089851389927029E-003
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.740829289359951E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  6.951020570261576E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  3.165892833842206E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  6.110711972654870E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  1.054693406574234E-003
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  6.438550681552885E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  7.911508061508220E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  8.924564289757420E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  5.200708018669565E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  9.017077279112616E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  5.154977525268938E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.376698500821162E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  4.556185287124758E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  4.551593222350110E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  8.084227995729606E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  1.167180607353940E-003
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  4.647397085246346E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.473077897523971E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  1.124243682931173E-003
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  7.937444284010853E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  3.711581601827178E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  2.471480998991001E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  6.027470605557660E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  9.429921167091891E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  7.423597125754730E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  1.286650389878638E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  5.451380326994769E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.617816473442550E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  3.470813806570465E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  4.261239882956942E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  6.110711473473509E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  1.054693367333665E-003
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  6.438635594750288E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  7.911508430738130E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  8.924565012540319E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  5.200707762895621E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  9.017078537680716E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  5.154977241069610E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.376869885268599E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  4.556184983900054E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  4.551593082865581E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  8.084228370405631E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  1.167180571527226E-003
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  4.647397090113155E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.473106774959515E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  1.124243648367207E-003
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  7.937444685971410E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  3.712363185695179E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  2.471481106349160E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  6.027471590183838E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  9.429920409611210E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  7.423596936146684E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  1.286650392941259E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  5.451380226083260E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.618538885330772E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  3.470813608696326E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  4.261238415693663E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.723199312153816E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.599260701054385E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.715424713314255E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  2.632802687129205E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.106425284181379E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  4.794978754472378E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.262099732176817E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.188465637925889E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.877023622323136E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.505564707301469E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.443609458294623E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.967014571983278E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.020940515181346E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  5.935762554514242E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.911248539644514E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.171923072902704E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.201265336047898E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.235189362265502E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.276127419931354E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.906158543656233E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.206945441108319E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.029252245062280E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.621096197267622E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  4.141537079034638E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.180568421183660E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  2.102793481155428E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.812930212529034E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.290721038862167E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  3.861339157480163E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.869257951968269E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.403086314061372E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.592692317736873E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.274258243388762E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.360705806431705E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.049172306262971E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  8.358739093821531E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.318038700763320E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  5.885904782103010E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.082069613903992E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.730681151611146E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  1.296577490280647E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.428656086448475E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.092637891660569E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  9.629686052192960E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.420481083718248E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.584797685197887E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  1.372591988843539E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.564362344857962E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.059723439062030E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  3.855309125449330E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  3.166766950481585E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.382631608537442E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.206864080791292E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  3.493148920792419E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.443226970843146E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  1.129027198060407E-003
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.422769595615412E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  9.258125585871200E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.042142868711926E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.043844364768152E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  4.516901411860508E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  8.311884484198944E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.026568472277793E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  4.310422110161980E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.759966271084016E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  4.659434313124524E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.574360190016580E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  7.875808277740997E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.125089898502531E-003
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  6.506741997197417E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  9.779384213247622E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.170074151837456E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  3.342138237288958E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  6.873588650167304E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  1.189856590414299E-003
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  9.291582084530463E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.228062437581407E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  1.931581363358863E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  1.591942629524599E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  8.022789068167057E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  9.794041416484125E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  1.754402784902073E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  3.025844757879345E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  5.650845671846036E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  4.494790025762140E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  4.635571334109309E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  2.744884814195593E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.468573079404551E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  2.260635077663458E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  4.040634605211740E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  2.155929339844341E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  3.737491872740915E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  2.333189692929274E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  3.444710511856116E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  6.288609255971285E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  3.917617951428398E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.125089510099076E-003
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  6.506741848890411E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  9.779384113750558E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.169356614591486E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  3.342137820921824E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  6.873588368695970E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  1.189856866910623E-003
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  9.291581928219514E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.227941126158252E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  1.931581329295319E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  1.591942597619248E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  8.022787906887581E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  9.794042284581401E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  1.754402688810764E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  3.025845228554291E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  5.650845515489007E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  4.495917159255153E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  4.635571248792704E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  2.744883241909981E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.467152620711214E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  2.260635044260492E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  4.040635049939987E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  2.155929319245706E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  3.737491386533295E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  2.333189630151146E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  3.443691325816535E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  6.288609143347075E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  3.917617858427500E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  1.127673696501920E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.511744158908302E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  5.587693161357245E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  9.249719725514198E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.783180593940378E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  2.649437889947204E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.777880629726001E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  5.696203433588665E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  9.260651006131706E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  1.844459088682387E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  1.887915028359182E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  1.240718640512104E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  2.131181250849906E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  7.491228412019366E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  4.632634297231610E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  3.390835108491264E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  2.435156659034974E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  7.475595911251909E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  8.631239185119813E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  1.724073731441452E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  2.209818944744358E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  4.198476372441033E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.155576721997440E-004
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  1.508144377828396E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  1.832587650286928E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  8.526285915936282E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  2.156639056397806E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  1.876044683309431E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  1.378333475504938E-004
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  5.781735458899740E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.207599835982691E-004
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  5.499708953727159E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  2.137936474419779E-004
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  2.703423817947427E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  1.048948948351257E-003
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  2.541533256979507E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.136698311485047E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  1.443578454486826E-004
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  4.097951686995985E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.159874220251573E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  1.428583791746896E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  5.692259428555690E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  4.123602570716952E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  1.396521777426804E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  8.979817246247927E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  2.093402207756140E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  2.474241633279311E-004
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  7.533639245889425E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  2.349013836510416E-004
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  8.404690474545434E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  8.254910871476520E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  1.780410059778801E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  1.378603707275837E-004
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  1.370328541880783E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  1.525264683180239E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  4.205540668724896E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  3.166663988077197E-004
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  3.661806781052063E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  1.829966311594029E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  2.216347321481308E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  8.822416941711482E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  4.596983851332480E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  1.082444708290646E-004
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  1.047488745030392E-004
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  2.198204973002571E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  5.473158802397248E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  2.929954645204622E-004
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  1.805057972184364E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  1.048948410670386E-003
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  2.541533173858873E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.136694514908073E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  1.443577066281898E-004
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  4.097951432660456E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.159874403440272E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  1.428583555463747E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  5.692257485156574E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  4.123599589010680E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  1.396520866795664E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  8.979815889276565E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  2.093399026719801E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  2.474241237967326E-004
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  7.533652841685523E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  2.349013402150430E-004
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  8.404689914512816E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  8.254888032039271E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  1.780407863863484E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  1.378603407166043E-004
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  1.370327059827313E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  1.525264497268620E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  4.205551499520965E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  3.166663504864320E-004
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  3.661804561073625E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  1.829964349282546E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  2.216346989962351E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  8.822403846214715E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  4.596984995018571E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  1.082444557757727E-004
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  1.047487418345267E-004
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  2.198204675166222E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  5.473149699477189E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  2.929954190457683E-004
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  1.805056242057168E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  1.127673470903281E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.511736948366116E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  5.587692468375886E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  9.249717532544777E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.783180560679863E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  2.649436717252775E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.777880246896642E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  5.696204535390559E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  9.260649500024732E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  1.844460154196007E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  1.887914781679734E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  1.240715467610650E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  2.131180840021558E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  7.491214927908730E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  4.632633829709939E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  3.390834722811402E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  2.435158337863756E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  7.475606211237000E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  8.631238102544882E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  1.724072495718017E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  2.209818703960229E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  4.198465549439420E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.155576345632630E-004
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  1.508142598735139E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  1.832589285281380E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  8.526284435396580E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  2.156639829411185E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  1.876043947576722E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  1.378333291923285E-004
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  5.781744046564734E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.207599701792016E-004
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  5.499717204842162E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  2.137936146066571E-004
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  2.703422136343834E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  3.505766759859253E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  3.020037045641187E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.935541421779123E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.997496326805884E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.775664351828707E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  1.014843171927698E-004
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  4.546610932766710E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  9.320133426972437E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  5.699822333509200E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  3.960414139073729E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  2.563708497257469E-004
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  1.800392209834845E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  1.319935038937913E-004
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.165456390441287E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  7.530401863616910E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  2.534124011664714E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  2.889868012607538E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  3.053171011495183E-004
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  2.099138073379099E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  1.718377813809007E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  8.874703540429428E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  9.746415955210761E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  4.249953937280236E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  1.156982699139136E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  2.269530842482514E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  1.830514832758245E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  2.534265894002153E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  2.917802901675564E-004
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  1.952432081861847E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  5.274282293884157E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  1.385713726309627E-004
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  1.115235968968182E-004
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  5.485591766817158E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  8.966145862797233E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  1.284346997498667E-004
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  3.505766036856139E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  3.020038060578627E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.935541389430724E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.997503153220892E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.775663311491611E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  1.014843302299613E-004
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  4.546611720893740E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  9.320134626808462E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  5.699823773775939E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  3.960411405272688E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  2.563707268041781E-004
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  1.800392237341195E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  1.319933195521719E-004
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.165456386738977E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  7.530388863310121E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  2.534124116761680E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  2.889868070871361E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  3.053168926918437E-004
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  2.099135927431764E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  1.718377800863906E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  8.874702996219757E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  9.746416540545827E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  4.249943110800237E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  1.156982595423043E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  2.269528922474709E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  1.830516606374595E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  2.534265889262154E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  2.917801819196811E-004
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  1.952432737710373E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  5.274282701497109E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  1.385712409141558E-004
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  1.115235902640346E-004
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  5.485600342864509E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  8.966144631735598E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  1.284347920854276E-004
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  2.570872002799196E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.159498303825832E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.187105003424754E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  3.641945872643823E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.401134039529257E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  3.904750266769096E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  6.878702848396228E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  3.113958887871155E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  3.059985707878196E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.940729832265433E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.256522200064318E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.126478214054918E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  5.941614474581308E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.485358791713702E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.670316424867602E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.453954450163972E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  1.397048294867987E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  7.584708031373756E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  3.522859141830940E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  1.322773482943647E-004
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  1.903822538632022E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  3.927476446502104E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  8.006363019466882E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  9.696357050783568E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  1.810426735187956E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  1.066895317148259E-012
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  1.179854734559724E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  6.322713243255795E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.695835137390471E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  1.471086692620026E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.632746346864023E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.272333797701727E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  2.462419995644401E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.428541915966489E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  1.959670269158133E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.254314262880010E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  1.551413374364504E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.376821634035129E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  3.121465914828763E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  4.863875518797207E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  8.498968452723016E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.811183947900656E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.405549429418322E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.650012365621066E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  3.417300639300201E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  5.980985335044441E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.540848699240746E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  2.086888337466941E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  1.249612712421101E-004
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.423082573423242E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  2.996003789643284E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  5.228352908583290E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  8.255883566389795E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.369900374295059E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  7.175576941432734E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  3.811756666959950E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  1.040975285511034E-004
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  1.319685126032798E-004
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  1.578626246747691E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  1.951852489094752E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  8.016125428893535E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  3.409435883418065E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  9.091676563154735E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.651738404955771E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  5.890425218806390E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  6.640397818846642E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.630760036428661E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  7.382059964034151E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  1.391479083761052E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  1.721274436619984E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  1.238155394465741E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  2.162670189465093E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  9.924576169923265E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.298444912361144E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  7.969702760409266E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  1.277650002907142E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  3.121459230794745E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  4.863875511199594E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  8.498956493071430E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.811183911509153E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.405549377275536E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.650012611584053E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  3.417300661167172E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  5.980985006076644E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.540848611257835E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  2.086945949286894E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  1.249610229075816E-004
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.423082599142354E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  2.996003725707712E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  5.228348065578899E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  8.255883239033696E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.371053024532593E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  7.175577065411647E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  3.811756797763597E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  1.040975342031700E-004
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  1.319685045232189E-004
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  1.578626497002026E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  1.951852477355312E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  8.016125123419810E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  3.409435798875685E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  9.091676667726034E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.651766723249462E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  5.890425971371855E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  6.640398799204338E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.631204805711668E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  7.382059820223123E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  1.391475912732131E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  1.721271864852734E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  1.238155363151094E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  2.162669747178029E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  9.924576017716366E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.283689737864541E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  7.969702918764120E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  1.277647166846296E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.212790011297846E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.600011256494349E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.797677324383008E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.399688301184463E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.270863266964704E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.713369575105082E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.215263450280171E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  5.987303193206587E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.131427238454458E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.705620901847532E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  8.009554740183242E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.620230091446675E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  7.515421743241340E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.595220488336963E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.930850440544099E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.649410055239273E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.055024374740920E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  2.742775592829638E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.653524453558005E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.393828532140817E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.310655394294071E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  8.291186596782244E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.255082709629932E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  1.016250365290908E-006
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.730791033540059E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.417217843498062E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.267283924790041E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.143326318902753E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  7.225679286110607E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.041856961777656E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  4.222087056623950E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.986146234967205E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  8.009987970110972E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.307610008177465E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.157506517683748E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.980676097693784E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.056902901036333E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  3.474099175867577E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  6.484037829136231E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.724271948782393E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  8.875131776482316E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.067705850432077E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  8.153986629870400E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.392533725912914E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.239344064906732E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.129064956237467E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.876916486535462E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.370587139556747E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  7.193281359263706E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  1.267530356369725E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.251313873760545E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  8.127085423678640E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.684581375575473E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.074658948223621E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  1.810874010584573E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.287095455197621E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  9.890750713619318E-011
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.198319309222576E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  9.502193045392644E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.561513921284083E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.823835765773632E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  1.699762212104543E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.372065589776149E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  1.132652475199556E-003
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  1.962717172393797E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.748190037273940E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  1.697030746032497E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  6.341657251226898E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  1.098852312496718E-003
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  1.324997449743702E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.546477560630638E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  4.943914207783902E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  9.062406050398137E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  8.241848341225542E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  1.092606398563903E-003
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  4.748729395980271E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.054182411223159E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  9.481517466921380E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  1.568606722841224E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  1.699762091964274E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.371650998948040E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  1.132652440575556E-003
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  1.962717262258693E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.742803532883951E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  1.697030696964075E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  6.341657051111996E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  1.098852282438579E-003
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  1.324997403146729E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.546318843558958E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  4.942765801270744E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  9.062405899845105E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  8.241848193295961E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  1.092606359867093E-003
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  4.748729287138990E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.053793291083334E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  9.481517151284011E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  1.568606812056440E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  2.639814867108146E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  4.607700034073481E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.239047035054832E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  1.903164909246621E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.056501333799758E-010
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  2.027166408391848E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  2.620702002152474E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.239085684947167E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.335372421943689E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.103046729105608E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  1.723833265635213E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.480770314174198E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  1.144558011900815E-003
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.022899316468354E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  1.571149908238776E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  2.716984303980524E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  1.476243689372021E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  1.634256112982295E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  4.934855299050575E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  3.774182567733870E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  2.615900227340265E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  2.378429034749406E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.023019565746838E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.382084732014834E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  9.518870603392530E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  5.107043180492105E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  5.870082965748851E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  1.812398616038447E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.762657194682017E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.521725896963163E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.937353445923810E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  1.902705361264153E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  7.063359350890485E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  2.028578733708622E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  1.448422482482236E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  5.990212793769357E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  1.359148990270857E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  9.895071118312996E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  8.611507594387863E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  1.491189321853834E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  5.713614366386812E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.487515108927804E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  7.845569486196412E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  8.612225263356942E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  1.476717394912880E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  4.937195580285051E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  7.652526239133277E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.295724143093871E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  6.219634749438218E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  1.126179243819055E-003
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.317732708859904E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  1.567645878531560E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  2.550726288872937E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  4.432692771036941E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  9.055890363380462E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.524846209426156E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  7.604872474086243E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  1.950994525003632E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  1.902705302916383E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  7.063359021611379E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  2.028578688291459E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  1.448422443088383E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  5.990160105896256E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  1.359149117058860E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  9.895071611823380E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  8.611507316256561E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  1.491189467921206E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  5.713614314530863E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.488240650435158E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  7.845569342028819E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  8.612224976568951E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  1.476717350687397E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  4.937195324504027E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  7.652525949337631E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.295711520489951E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  6.220996998881397E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  1.126179219388768E-003
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.317732954723514E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  1.567645934183715E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  2.550726078067915E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  4.432694230330841E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  9.055890151624617E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.524693354803227E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  7.604872198144616E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  1.950994792674391E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.395754877108738E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.317707288562611E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.631513308966586E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  6.875356209641028E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.167744537343493E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  4.895767621182303E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  9.999858071877639E-011
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.378558683930410E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.249321829174585E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.653273145716014E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.248258112498916E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.614911862609066E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.682148198740615E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  7.740067727582581E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.975519996152245E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  2.892093920226490E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.849564087797468E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.161523420796685E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.176293469358343E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.863030563733377E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.278873664763822E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.472925002762447E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.790017193971447E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.557147616298325E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.490923220852544E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.049302974538643E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.267940513072404E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171797939083773E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.779933642774329E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.014028063483217E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  5.947217929175126E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.009572190440016E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.625849984653694E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.735083201856469E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.468602376220574E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.564522548433733E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.286985488567881E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  1.253414876791252E-010
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.597857860298886E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.110306210782166E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.140408461692180E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  1.321679386324338E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.472047561598867E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  3.182378562318645E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.042936942369219E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.673809909265582E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  1.072556958136085E-003
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  5.805323374929831E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  1.041946557535085E-003
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  7.354401934511976E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  9.389046376686160E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  8.781084815964975E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  8.526212493556037E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  2.071563825033642E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  4.816632831895640E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  8.957274194733211E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.100702205841782E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  2.188094800546290E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.692429237002164E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  4.606989578161735E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.429848588563959E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  5.435487754299674E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  1.510546508603879E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.622086941012755E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  1.123972333247442E-003
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.685533457815778E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  6.870069501301446E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  2.884132147693461E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  6.618827797676232E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  1.142526838685150E-003
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.026399773234667E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  8.134282163135385E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  9.005176195289667E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  5.356750859985164E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  9.287196667038819E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  5.202771203387989E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.684120753270412E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  4.683076513288096E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  4.362822080117801E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  7.770846208059116E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  1.188453077213263E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  4.465732754519313E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.592976729330175E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  1.103796514573929E-003
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  7.612320150392000E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  4.131712874820899E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  2.310913117157904E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  5.957193401251230E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  9.723658751209128E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  7.548452308367014E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  1.308359619959003E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  5.621951540017359E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  3.991326158126174E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  3.430337929617705E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  3.983511318297356E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  6.618827238445314E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  1.142526802673202E-003
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.026471978699327E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  8.134282541516363E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  9.005176911062529E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  5.356750623187693E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  9.287197866332384E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  5.202770924271307E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.684287148487136E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  4.683076210386873E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  4.362821950574099E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  7.770846586391043E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  1.188453038835596E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  4.465732746219765E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.593003778510649E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  1.103796485178308E-003
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  7.612320500054888E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  4.132509743120246E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  2.310913175270957E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  5.957194299096038E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  9.723658002639975E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  7.548452088332175E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  1.308359620366569E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  5.621951417572518E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  3.992042080564695E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  3.430337747750294E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  3.983509970687091E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  7.299324424623716E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.381135404509258E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.903783351955077E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  2.756212005845755E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.220771622364243E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  4.802803802315686E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.982723671868548E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.102615436281868E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.087263363613855E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.670236095643238E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.665522443873826E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.056125474941922E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.017116932711654E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  5.552514688053828E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.919349343767475E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.137100248120499E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.228331870723702E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.276682418762530E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.241343548639159E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.132377350859903E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.849170713130043E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.800357397597366E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.168424709871225E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.774570792787966E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.258803019695388E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  2.090705284078906E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.806339590717372E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.289961936385681E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  3.968981308673183E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.398476618728064E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.538224104456202E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.443447346903251E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.729742035323428E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.339336850649935E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.053371808407762E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  8.680891419675468E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.467980351500837E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  5.896971024383441E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.043308778986720E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.401227664052254E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  1.281738221276250E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.648595314281255E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.149217947139882E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  8.645121007058170E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.393465217275747E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.578400163870985E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  1.350563814629922E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.492302055908986E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.477073688062859E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  3.670175065838370E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  2.568608366170739E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.403871672450676E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.210915773462776E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  3.153894637016935E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.361051290353032E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  1.158185259761507E-003
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.395626740088325E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  8.395904660780820E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.058310601313181E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.002044706159397E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  4.506521912985169E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  8.667272804377399E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  2.973526057657897E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  4.206542025440283E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.679919623210273E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  4.568473104954898E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.343615083233964E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  7.624685521143907E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.112315534287212E-003
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  6.428432667108294E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.004076502694710E-003
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.991662356669455E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  3.182021952051807E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  6.765167794978824E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  1.170822873910124E-003
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  8.981820720038744E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.150942079149144E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.837985907800803E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  1.291915977253018E-004
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  7.276793926272285E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  1.004768252257303E-003
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  1.585908580482505E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  2.731982632473933E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  5.796550564186387E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  4.413933103685198E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  4.205736475465597E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  2.227202493285141E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.313097703292571E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  2.255446187481281E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  3.962372210582381E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  2.103861897564700E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  3.647791139049321E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  2.288026582042535E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.248297805075274E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  5.867013254806573E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  3.909015657049419E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.112315162394703E-003
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  6.428432493963862E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.004076488098717E-003
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.991072856621687E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  3.182022080470929E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  6.765167519503986E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  1.170823137582609E-003
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  8.981820580582593E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.150836902703008E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.837985859094696E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  1.291915968863832E-004
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  7.276792880004450E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  1.004768342559530E-003
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  1.585908499772028E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  2.731983154880648E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  5.796550390995757E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  4.415050568008359E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  4.205736417686636E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  2.227201203347403E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.311733734878485E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  2.255446151125360E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  3.962372609677237E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  2.103861874791887E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  3.647790752383108E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  2.288026517263059E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.247343551413662E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  5.867013166591042E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  3.909015513531491E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.133703772863529E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.056363572787751E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  2.381165859100649E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.003023392564201E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.970861297627779E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.415444538419425E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  1.489300482798486E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  5.600668094671425E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.542154313550458E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  1.797509793851965E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  1.830610527131820E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  5.304945642219398E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.511175977055853E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  6.475718596549873E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  3.542916588997511E-004
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.281028282179106E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  1.763205271428701E-004
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  7.583688056637815E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  5.803947533829641E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  1.357315111410569E-004
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  1.364430679681434E-004
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  3.486460123473784E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.180008187847955E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  1.757367623692223E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  1.784189993145927E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  5.316099065539645E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  1.213839926796659E-004
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  1.216412884933816E-004
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  9.483188249468117E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  5.248082258543520E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  8.247553061987140E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  5.697738451567397E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.357130784518336E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  2.333675850409290E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  8.621054544817686E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.577434394340475E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  9.107112112410343E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  1.710947022556830E-004
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.371479935375012E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.247281469069561E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  6.605078542801480E-005
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  5.598799685959089E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  3.579019487387910E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.141612847777555E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  9.925602102132421E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  1.641953982753632E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  2.073306296611195E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  6.499101738996396E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.514674912261193E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  6.746375012548071E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  3.588522976640065E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  1.165828587833104E-004
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  1.063700220658565E-004
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  1.048007003295705E-004
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  1.057071089639761E-004
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  3.489232374800378E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  2.110729476669449E-004
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  2.848110704159338E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  1.782332921384643E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  1.933345708513428E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  6.558882200603390E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  3.928940389874628E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  8.496214742972981E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  6.896601947537940E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  1.431816223578842E-004
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  5.675166655069359E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.723784501027665E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  1.455506225610636E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  8.621049040268628E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.577434197036474E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  9.107139145941306E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  1.710945526929076E-004
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.371479674785184E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.247281454747018E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  6.605077186329423E-005
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  5.598797787166871E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  3.579016624112979E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.141612047606697E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  9.925601668360491E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  1.641951030845686E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  2.073305938848061E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  6.499114210867741E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.514674594859337E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  6.746373844250922E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  3.588509503621722E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  1.165826548333216E-004
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  1.063699943939668E-004
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  1.048005561392956E-004
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  1.057070928685087E-004
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  3.489240264653735E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  2.110729036368346E-004
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  2.848108496501967E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  1.782330980999629E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  1.933345387394784E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  6.558868873668418E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  3.928942582008407E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  8.496213296660785E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  6.896588496594459E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  1.431815948004651E-004
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  5.675157274222436E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.723784098243773E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  1.455504516459703E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.133703899898826E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.056370623251518E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  2.381164847123207E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.003022427823541E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.970861255737441E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.415443229078672E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  1.489300042058216E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  5.600668954316416E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.542153096705159E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  1.797510637224961E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  1.830610277740162E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  5.304927705749334E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.511175546841709E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  6.475706063337708E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  3.542916151825588E-004
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.281027858771521E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  1.763207060292510E-004
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  7.583694167840760E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  5.803946332720508E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  1.357313730852974E-004
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  1.364430431612851E-004
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  3.486452019056883E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.180007838140960E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  1.757365791290616E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  1.784191537678452E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  5.316097379867490E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  1.213840626798628E-004
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  1.216412216620923E-004
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  9.483186346431832E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  5.248089374715704E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  8.247551708291828E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  5.697746812812522E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.357130471412269E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  2.333674172230740E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  3.211170251215637E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  4.895930774067136E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.808181968510887E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  3.172296717827083E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.026398852833740E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  1.704224369105021E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  4.227696207299000E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  1.488250603379751E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  5.597791639715535E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  2.701606887517831E-004
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.934256935942497E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  1.029900836473030E-004
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  1.555037496687531E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.332201524266670E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  6.513763966000607E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  2.721252983392448E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  2.580949291792728E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.885003089171478E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  1.307655698151467E-004
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.346908887897632E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  6.197505319269136E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  8.163623195537307E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  3.517311649678722E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  1.006524631063268E-004
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  1.192412175330912E-004
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  1.780237898299705E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  2.139894303495320E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.773680754056482E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  1.287650080569317E-004
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  3.725112337152919E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  1.007177255187165E-004
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  7.436630893610939E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  5.676557577752075E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  4.784423040656387E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  1.087863292630791E-004
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  3.211169312355490E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  4.895934691739071E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.808181643619141E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  3.172290717828512E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.026397499342680E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  1.704224486146334E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  4.227697281960928E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  1.488250658924183E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  5.597793021759900E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  2.701604264271783E-004
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.934255761518276E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  1.029900889689994E-004
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  1.555035144621322E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.332201513689902E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  6.513751633460311E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  2.721253143318488E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  2.580949321819494E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.885001032965782E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  1.307653647038987E-004
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.346908826147554E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  6.197510875776003E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  8.163623702945928E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  3.517303381699121E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  1.006524461902477E-004
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  1.192410424302915E-004
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  1.780239639413229E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  2.139894265660979E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.773679717019147E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  1.287650718966200E-004
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  3.725112765294852E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  1.007176018828354E-004
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  7.436630130313884E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  5.676566498051038E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  4.784422043140394E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  1.087864430776584E-004
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  2.520324246057555E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.582395181137352E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.854545370461247E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  2.027083338271856E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  6.265154876081040E-005
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  2.279626771338929E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  5.920137677024354E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.897489982212129E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  3.008789062169147E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  1.084956689937581E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.276181137261847E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.401083674143282E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  5.648874667443086E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.598991790536142E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  2.004211369858220E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.899549705027931E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.075556343671929E-004
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  4.815901955298466E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.737147096282558E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  5.947922609183482E-005
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.636469843242931E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  3.560209560735536E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.942244366883966E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  6.855018640355342E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  1.183495839488309E-004
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  9.597482779782162E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  2.596734153311247E-005
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  4.180379621971276E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.538835403667320E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  9.126116712966023E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.685589051028441E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.301400710384356E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  2.471126416352864E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.414999586172742E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  1.908887206758079E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.137468547290378E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  1.364894354460428E-004
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.319801871440111E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.742374522400733E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  4.638792623763495E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  8.110426728529927E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  1.006025766001972E-004
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  6.322693923275912E-005
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.600212066139600E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  2.939511934662966E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  5.152958841212421E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.517112329223885E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.273279820856398E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  9.821505993888759E-005
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.712414905802612E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  2.858048045719361E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  4.991004451596062E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  9.918270351743550E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.612600691863276E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  5.625534570190483E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  2.427539341035744E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  2.340253734374543E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  5.946120796586310E-005
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  1.034270653949360E-004
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  1.768879690389841E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.916831302590434E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  3.091894391735155E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  5.956211110691484E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.607221191256830E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  1.298871457505551E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  4.216351588292790E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  4.940846101895513E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  4.601687106517523E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.236429225698715E-004
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  1.681190900579797E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  1.244609494094466E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  2.174337224193344E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  9.690217227096983E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.016627523189100E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  7.073237906210987E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  7.983025578796378E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.742369038613984E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  4.638793108845613E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  8.110414276992231E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  1.006025547655734E-004
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  6.322693951726824E-005
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.600212286126189E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  2.939511878861062E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  5.152958575819551E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.517112343272146E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.273359514031939E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  9.821483253778909E-005
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.712415034424541E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  2.858048070724409E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  4.990999633815579E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  9.918270108120026E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.613652369875205E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  5.625535073877028E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  2.427539627710000E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  2.340254254827399E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  5.946120504052717E-005
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  1.034270922477448E-004
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  1.768879656011812E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.916830815958083E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  3.091894314081382E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  5.956211574379563E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.606995184692803E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  1.298871649466610E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  4.216352442756400E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  4.941538962971942E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  4.601686928175859E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.236426038889973E-004
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  1.681188350928579E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  1.244609498207210E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  2.174337135131534E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  9.690217487555591E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.003434953038550E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  7.073238597890781E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  7.982998891728206E-005
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.75172125 p = -3228.34341867
                                d =  -843.89310742 f =   -23.45001473
       valence  contribution :  s =    -0.08814977 p =    -0.02386316
                                d =    -0.44876485 f =    -0.00234384
                                ns      0.00435949
     single particle energies  spin  up    
         core   contribution :  s = -6845.45018179 p = -3230.01773855
                                d =  -845.28874751 f =   -24.42817601
       valence  contribution :  s =    -0.11777088 p =    -0.03176483
                                d =    -0.94763113 f =    -0.00305759
                                ns      0.00688564
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21887.27520686
                                   band energy per atom :   -1.6521009255

     coulomb  contribution :   0  13904.85441231  1      0.00295025
                               2     -0.00010615  3     -0.00121397
                               4      0.00163884  5     -0.00056956
                               6     -0.00003188
     --------------------------------------------------------------------
     tot. coulomb contribution :  13904.85707984

     ex.-cor. contribution :   0   -676.09811580  1      0.00937004
                               2      0.00235367  3     -0.00694437
                               4     -0.00742464  5      0.00231090
                               6      0.00004812
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -676.09840208

     eff. pot. contribution     : -26982.71851231
     total double counting contribution                 : -13753.95983455

   Total contribution of atom  1 =-35641.23504141
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07937723 p =    -0.09214243
                                d =    -0.04105063 f =    -0.01305610
                                ns      0.03870185
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09919984 p =    -0.11525229
                                d =    -0.05451011 f =    -0.01943647
                                ns      0.05184192
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42348133
                                   band energy per atom :   -0.4234813270

     coulomb  contribution :   0     -0.10468633  1      0.00634727
                               2      0.01020605  3      0.00104991
                               4     -0.00132852  5      0.00021257
                               6     -0.00003132
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08823036

     ex.-cor. contribution :   0     -0.69060761  1     -0.00066052
                               2      0.05270384  3      0.01021524
                               4      0.01951105  5      0.00401135
                               6      0.00049437
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60433228

     eff. pot. contribution     :     -0.46762595
     total double counting contribution                 :     -1.16018860

   Total contribution of atom  2 =    -1.58366993
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07929829 p =    -0.09204149
                                d =    -0.04101522 f =    -0.01304279
                                ns      0.03862452
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09910707 p =    -0.11512119
                                d =    -0.05445493 f =    -0.01941501
                                ns      0.05173755
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42313392
                                   band energy per atom :   -0.4231339227

     coulomb  contribution :   0     -0.10499591  1      0.00638064
                               2      0.01023028  3      0.00104480
                               4     -0.00131748  5      0.00021456
                               6     -0.00003095
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08847405

     ex.-cor. contribution :   0     -0.68997334  1     -0.00067508
                               2      0.05263556  3      0.01020008
                               4      0.01945450  5      0.00400505
                               6      0.00049219
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60386104

     eff. pot. contribution     :     -0.46738121
     total double counting contribution                 :     -1.15971629

   Total contribution of atom  3 =    -1.58285022
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07929829 p =    -0.09204150
                                d =    -0.04101522 f =    -0.01304279
                                ns      0.03862452
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09910707 p =    -0.11512120
                                d =    -0.05445493 f =    -0.01941501
                                ns      0.05173755
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42313393
                                   band energy per atom :   -0.4231339252

     coulomb  contribution :   0     -0.10499591  1      0.00638063
                               2      0.01023028  3      0.00104480
                               4     -0.00131748  5      0.00021456
                               6     -0.00003095
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08847406

     ex.-cor. contribution :   0     -0.68997334  1     -0.00067508
                               2      0.05263556  3      0.01020010
                               4      0.01945452  5      0.00400505
                               6      0.00049219
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60386099

     eff. pot. contribution     :     -0.46738120
     total double counting contribution                 :     -1.15971625

   Total contribution of atom  4 =    -1.58285017
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04788330 p =    -0.05847658
                                d =    -0.02699346 f =    -0.00861135
                                ns      0.00806465
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06024975 p =    -0.07147517
                                d =    -0.03370523 f =    -0.01139315
                                ns      0.00996789
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30075544
                                   band energy per atom :   -0.3007554434

     coulomb  contribution :   0     -0.07745945  1     -0.00184918
                               2     -0.00051334  3     -0.00002282
                               4     -0.00010516  5      0.00023037
                               6      0.00017642
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07954316

     ex.-cor. contribution :   0     -0.41792696  1     -0.00011804
                               2     -0.00034946  3     -0.00001629
                               4      0.01729220  5      0.00000879
                               6      0.00111096
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39999881

     eff. pot. contribution     :     -0.44785837
     total double counting contribution                 :     -0.92740034

   Total contribution of atom  5 =    -1.22815578
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04788333 p =    -0.05849270
                                d =    -0.02700258 f =    -0.00861110
                                ns      0.00806590
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06024393 p =    -0.07149002
                                d =    -0.03371627 f =    -0.01139363
                                ns      0.00996905
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30079859
                                   band energy per atom :   -0.3007985947

     coulomb  contribution :   0     -0.07732352  1     -0.00185276
                               2     -0.00051495  3     -0.00002163
                               4     -0.00011118  5      0.00023118
                               6      0.00017588
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07941697

     ex.-cor. contribution :   0     -0.41790098  1     -0.00011913
                               2     -0.00034501  3     -0.00001669
                               4      0.01729436  5      0.00000899
                               6      0.00110730
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39997117

     eff. pot. contribution     :     -0.44782236
     total double counting contribution                 :     -0.92721049

   Total contribution of atom  6 =    -1.22800909
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04788333 p =    -0.05849270
                                d =    -0.02700258 f =    -0.00861110
                                ns      0.00806590
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06024393 p =    -0.07149002
                                d =    -0.03371627 f =    -0.01139363
                                ns      0.00996905
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30079860
                                   band energy per atom :   -0.3007985960

     coulomb  contribution :   0     -0.07732352  1     -0.00185276
                               2     -0.00051495  3     -0.00002163
                               4     -0.00011118  5      0.00023118
                               6      0.00017588
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07941697

     ex.-cor. contribution :   0     -0.41790098  1     -0.00011913
                               2     -0.00034501  3     -0.00001670
                               4      0.01729435  5      0.00000899
                               6      0.00110730
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.39997118

     eff. pot. contribution     :     -0.44782236
     total double counting contribution                 :     -0.92721051

   Total contribution of atom  7 =    -1.22800910
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07046950 p =    -0.08255921
                                d =    -0.03398942 f =    -0.00898170
                                ns      0.01586593
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08808726 p =    -0.10315579
                                d =    -0.04504084 f =    -0.01302674
                                ns      0.02075817
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.40868636
                                   band energy per atom :   -0.4086863600

     coulomb  contribution :   0     -0.12235718  1     -0.00365503
                               2     -0.00422801  3      0.00400995
                               4      0.00006066  5      0.00025629
                               6      0.00022873
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12568458

     ex.-cor. contribution :   0     -0.60577364  1      0.00223607
                               2      0.00343134  3      0.00077623
                               4      0.02939032  5      0.00082588
                               6      0.00058811
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.56852569

     eff. pot. contribution     :     -0.44878504
     total double counting contribution                 :     -1.14299531

   Total contribution of atom  8 =    -1.55168167
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.47393138 p = -1089.57293366
                                d =  -190.54253295
       valence  contribution :  s =    -0.45209609 p =    -0.16497371
                                d =    -0.01491027 f =    -0.00453878
                                ns     -0.00262264
     single particle energies  spin  up    
         core   contribution :  s = -2636.03174968 p = -1090.82820902
                                d =  -191.93391179
       valence  contribution :  s =    -0.54958563 p =    -0.23046920
                                d =    -0.01998863 f =    -0.00600013
                                ns     -0.00310985
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.83156340
                                   band energy per atom :   -1.4482949210

     coulomb  contribution :   0   5101.30577159  1     -0.00032983
                               2      0.00012149  3      0.00199040
                               4     -0.00816360  5     -0.00000492
                               6      0.00009698
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.29948211

     ex.-cor. contribution :   0   -329.15872282  1     -0.00001884
                               2     -0.00025602  3      0.00358425
                               4     -0.01873253  5      0.00003728
                               6      0.00036029
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.17374839

     eff. pot. contribution     :  -9890.42502449
     total double counting contribution                 :  -5118.29929077

   Total contribution of atom  9 =-12954.13085417
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.47400282 p = -1089.57309062
                                d =  -190.54269891
       valence  contribution :  s =    -0.45203803 p =    -0.16491285
                                d =    -0.01491227 f =    -0.00454117
                                ns     -0.00262463
     single particle energies  spin  up    
         core   contribution :  s = -2636.03182108 p = -1090.82836590
                                d =  -191.93407765
       valence  contribution :  s =    -0.54952808 p =    -0.23037822
                                d =    -0.01999032 f =    -0.00600317
                                ns     -0.00311338
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.83209912
                                   band energy per atom :   -1.4480421324

     coulomb  contribution :   0   5101.28720993  1     -0.00033993
                               2      0.00011953  3      0.00199448
                               4     -0.00817322  5     -0.00000404
                               6      0.00009716
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.28090393

     ex.-cor. contribution :   0   -329.15820888  1     -0.00002002
                               2     -0.00025919  3      0.00358333
                               4     -0.01874988  5      0.00003798
                               6      0.00036066
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.17325600

     eff. pot. contribution     :  -9890.40550233
     total double counting contribution                 :  -5118.29785440

   Total contribution of atom 10 =-12954.12995352
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.47400282 p = -1089.57309062
                                d =  -190.54269892
       valence  contribution :  s =    -0.45203803 p =    -0.16491285
                                d =    -0.01491227 f =    -0.00454117
                                ns     -0.00262463
     single particle energies  spin  up    
         core   contribution :  s = -2636.03182109 p = -1090.82836590
                                d =  -191.93407766
       valence  contribution :  s =    -0.54952808 p =    -0.23037822
                                d =    -0.01999032 f =    -0.00600317
                                ns     -0.00311338
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.83209914
                                   band energy per atom :   -1.4480421340

     coulomb  contribution :   0   5101.28720991  1     -0.00033993
                               2      0.00011953  3      0.00199448
                               4     -0.00817322  5     -0.00000404
                               6      0.00009716
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.28090391

     ex.-cor. contribution :   0   -329.15820886  1     -0.00002002
                               2     -0.00025920  3      0.00358378
                               4     -0.01875014  5      0.00003798
                               6      0.00036066
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.17325580

     eff. pot. contribution     :  -9890.40550229
     total double counting contribution                 :  -5118.29785418

   Total contribution of atom 11 =-12954.12995331
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08463913 p =    -0.10472251
                                d =    -0.04827297 f =    -0.01437387
                                ns      0.04889556
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10226042 p =    -0.12340151
                                d =    -0.05786180 f =    -0.01822500
                                ns      0.05966535
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44519630
                                   band energy per atom :   -0.4451962980

     coulomb  contribution :   0     -0.17994412  1     -0.00346618
                               2     -0.00920628  3      0.00107695
                               4      0.00385791  5      0.00076129
                               6     -0.00000287
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.18692330

     ex.-cor. contribution :   0     -0.65384999  1     -0.00145764
                               2      0.04981690  3      0.00863920
                               4      0.01912098  5      0.00394089
                               6      0.00027863
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57351104

     eff. pot. contribution     :     -0.40870326
     total double counting contribution                 :     -1.16913759

   Total contribution of atom 12 =    -1.61433389
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65589513 p = -1150.98245783
                                d =  -209.43444437
       valence  contribution :  s =    -0.59748814 p =    -0.21495852
                                d =    -0.01364210 f =    -0.00361490
                                ns      0.00139742
     single particle energies  spin  up    
         core   contribution :  s = -2756.21401774 p = -1152.23851830
                                d =  -210.82727431
       valence  contribution :  s =    -0.69488578 p =    -0.31342454
                                d =    -0.01467705 f =    -0.00370330
                                ns      0.00130826
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.20629634
                                   band energy per atom :   -1.8536886543

     coulomb  contribution :   0   5300.85941704  1     -0.00170578
                               2     -0.00111972  3     -0.00428249
                               4     -0.00564768  5      0.00058936
                               6      0.00000990
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.84726063

     ex.-cor. contribution :   0   -339.71919498  1      0.01209534
                               2     -0.00315811  3     -0.01496603
                               4     -0.01434717  5      0.00225234
                               6     -0.00001218
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.73733080

     eff. pot. contribution     : -10304.20733167
     total double counting contribution                 :  -5343.09740185

   Total contribution of atom 13 =-13580.30369819
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65598001 p = -1150.98264828
                                d =  -209.43465443
       valence  contribution :  s =    -0.59747510 p =    -0.21496292
                                d =    -0.01364060 f =    -0.00361508
                                ns      0.00139558
     single particle energies  spin  up    
         core   contribution :  s = -2756.21410256 p = -1152.23870869
                                d =  -210.82748431
       valence  contribution :  s =    -0.69487279 p =    -0.31342628
                                d =    -0.01467539 f =    -0.00370339
                                ns      0.00130556
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.20724868
                                   band energy per atom :   -1.8536703937

     coulomb  contribution :   0   5300.85950433  1     -0.00169330
                               2     -0.00112459  3     -0.00427610
                               4     -0.00565149  5      0.00059037
                               6      0.00000993
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.84735914

     ex.-cor. contribution :   0   -339.71917372  1      0.01209497
                               2     -0.00316889  3     -0.01491932
                               4     -0.01436016  5      0.00225368
                               6     -0.00001209
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.73728553

     eff. pot. contribution     : -10304.20619963
     total double counting contribution                 :  -5343.09612601

   Total contribution of atom 14 =-13580.30337470
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65597998 p = -1150.98264828
                                d =  -209.43465443
       valence  contribution :  s =    -0.59747510 p =    -0.21496292
                                d =    -0.01364060 f =    -0.00361508
                                ns      0.00139558
     single particle energies  spin  up    
         core   contribution :  s = -2756.21410260 p = -1152.23870869
                                d =  -210.82748431
       valence  contribution :  s =    -0.69487279 p =    -0.31342628
                                d =    -0.01467539 f =    -0.00370339
                                ns      0.00130556
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.20724869
                                   band energy per atom :   -1.8536703946

     coulomb  contribution :   0   5300.85950443  1     -0.00169330
                               2     -0.00112459  3     -0.00427611
                               4     -0.00565149  5      0.00059037
                               6      0.00000993
     --------------------------------------------------------------------
     tot. coulomb contribution :   5300.84735924

     ex.-cor. contribution :   0   -339.71917376  1      0.01209497
                               2     -0.00316892  3     -0.01491891
                               4     -0.01435889  5      0.00225368
                               6     -0.00001209
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.73728392

     eff. pot. contribution     : -10304.20619972
     total double counting contribution                 :  -5343.09612440

   Total contribution of atom 15 =-13580.30337309
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67154699 p = -1151.01876432
                                d =  -209.47683320
       valence  contribution :  s =    -0.60286299 p =    -0.22038897
                                d =    -0.01332506 f =    -0.00347493
                                ns      0.00010757
     single particle energies  spin  up    
         core   contribution :  s = -2756.22960219 p = -1152.27464097
                                d =  -210.86932395
       valence  contribution :  s =    -0.69978969 p =    -0.32047220
                                d =    -0.01472043 f =    -0.00376073
                                ns      0.00030332
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.41909574
                                   band energy per atom :   -1.8783841139

     coulomb  contribution :   0   5303.17141797  1      0.00258643
                               2     -0.00148515  3     -0.00424144
                               4     -0.00603515  5      0.00064817
                               6     -0.00001977
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.16287107

     ex.-cor. contribution :   0   -339.78118916  1      0.01195270
                               2     -0.00381160  3     -0.01369944
                               4     -0.01395976  5      0.00204498
                               6     -0.00003563
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.79869792

     eff. pot. contribution     : -10306.30107635
     total double counting contribution                 :  -5342.93690319

   Total contribution of atom 16 =-13580.35599893
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67146056 p = -1151.01856901
                                d =  -209.47661531
       valence  contribution :  s =    -0.60283531 p =    -0.22040768
                                d =    -0.01332436 f =    -0.00347445
                                ns      0.00010493
     single particle energies  spin  up    
         core   contribution :  s = -2756.22951568 p = -1152.27444550
                                d =  -210.86910574
       valence  contribution :  s =    -0.69975766 p =    -0.32049303
                                d =    -0.01472017 f =    -0.00376029
                                ns      0.00030056
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.41807927
                                   band energy per atom :   -1.8783674680

     coulomb  contribution :   0   5303.16729368  1      0.00257262
                               2     -0.00147610  3     -0.00424374
                               4     -0.00603364  5      0.00064737
                               6     -0.00001967
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.15874053

     ex.-cor. contribution :   0   -339.78113692  1      0.01195081
                               2     -0.00379847  3     -0.01369237
                               4     -0.01397201  5      0.00204494
                               6     -0.00003552
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.79863953

     eff. pot. contribution     : -10306.29831487
     total double counting contribution                 :  -5342.93821387

   Total contribution of atom 17 =-13580.35629313
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67146054 p = -1151.01856901
                                d =  -209.47661531
       valence  contribution :  s =    -0.60283531 p =    -0.22040768
                                d =    -0.01332436 f =    -0.00347445
                                ns      0.00010493
     single particle energies  spin  up    
         core   contribution :  s = -2756.22951571 p = -1152.27444550
                                d =  -210.86910574
       valence  contribution :  s =    -0.69975766 p =    -0.32049303
                                d =    -0.01472017 f =    -0.00376029
                                ns      0.00030056
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.41807929
                                   band energy per atom :   -1.8783674697

     coulomb  contribution :   0   5303.16729380  1      0.00257262
                               2     -0.00147610  3     -0.00424374
                               4     -0.00603364  5      0.00064737
                               6     -0.00001967
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.15874065

     ex.-cor. contribution :   0   -339.78113687  1      0.01195082
                               2     -0.00379848  3     -0.01369655
                               4     -0.01396759  5      0.00204494
                               6     -0.00003552
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.79863925

     eff. pot. contribution     : -10306.29831497
     total double counting contribution                 :  -5342.93821357

   Total contribution of atom 18 =-13580.35629286
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67154701 p = -1151.01876432
                                d =  -209.47683320
       valence  contribution :  s =    -0.60286299 p =    -0.22038897
                                d =    -0.01332506 f =    -0.00347493
                                ns      0.00010757
     single particle energies  spin  up    
         core   contribution :  s = -2756.22960218 p = -1152.27464097
                                d =  -210.86932395
       valence  contribution :  s =    -0.69978969 p =    -0.32047220
                                d =    -0.01472043 f =    -0.00376073
                                ns      0.00030333
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.41909575
                                   band energy per atom :   -1.8783841157

     coulomb  contribution :   0   5303.17141828  1      0.00258643
                               2     -0.00148514  3     -0.00424144
                               4     -0.00603515  5      0.00064817
                               6     -0.00001977
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.16287138

     ex.-cor. contribution :   0   -339.78118920  1      0.01195270
                               2     -0.00381155  3     -0.01368926
                               4     -0.01396839  5      0.00204498
                               6     -0.00003563
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.79869635

     eff. pot. contribution     : -10306.30107665
     total double counting contribution                 :  -5342.93690162

   Total contribution of atom 19 =-13580.35599737
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67153180 p = -1151.01873009
                                d =  -209.47679526
       valence  contribution :  s =    -0.60285311 p =    -0.22045223
                                d =    -0.01332264 f =    -0.00347388
                                ns      0.00010881
     single particle energies  spin  up    
         core   contribution :  s = -2756.22958707 p = -1152.27460694
                                d =  -210.86928639
       valence  contribution :  s =    -0.69977745 p =    -0.32053880
                                d =    -0.01471792 f =    -0.00375952
                                ns      0.00030381
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.41902049
                                   band energy per atom :   -1.8784829393

     coulomb  contribution :   0   5303.17305236  1      0.00256723
                               2     -0.00147350  3     -0.00423851
                               4     -0.00603809  5      0.00064771
                               6     -0.00001960
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.16449760

     ex.-cor. contribution :   0   -339.78129932  1      0.01194753
                               2     -0.00379415  3     -0.01368326
                               4     -0.01397987  5      0.00204542
                               6     -0.00003547
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.79879911

     eff. pot. contribution     : -10306.30295829
     total double counting contribution                 :  -5342.93725980

   Total contribution of atom 20 =-13580.35628029
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.67153179 p = -1151.01873010
                                d =  -209.47679526
       valence  contribution :  s =    -0.60285311 p =    -0.22045223
                                d =    -0.01332264 f =    -0.00347388
                                ns      0.00010881
     single particle energies  spin  up    
         core   contribution :  s = -2756.22958707 p = -1152.27460694
                                d =  -210.86928639
       valence  contribution :  s =    -0.69977745 p =    -0.32053880
                                d =    -0.01471792 f =    -0.00375952
                                ns      0.00030381
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.41902049
                                   band energy per atom :   -1.8784829392

     coulomb  contribution :   0   5303.17305216  1      0.00256723
                               2     -0.00147350  3     -0.00423851
                               4     -0.00603809  5      0.00064771
                               6     -0.00001960
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.16449740

     ex.-cor. contribution :   0   -339.78129932  1      0.01194753
                               2     -0.00379413  3     -0.01368134
                               4     -0.01398146  5      0.00204542
                               6     -0.00003547
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.79879877

     eff. pot. contribution     : -10306.30295808
     total double counting contribution                 :  -5342.93725945

   Total contribution of atom 21 =-13580.35627994
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62792434 p = -1150.91724692
                                d =  -209.35242934
       valence  contribution :  s =    -0.58608550 p =    -0.20187606
                                d =    -0.01159396 f =    -0.00312853
                                ns     -0.00898335
     single particle energies  spin  up    
         core   contribution :  s = -2756.18600089 p = -1152.17321800
                                d =  -210.74613456
       valence  contribution :  s =    -0.68686412 p =    -0.30644739
                                d =    -0.01298270 f =    -0.00343898
                                ns     -0.00961574
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.83397037
                                   band energy per atom :   -1.8310163177

     coulomb  contribution :   0   5315.06358414  1     -0.00005929
                               2     -0.00344639  3     -0.00001525
                               4     -0.00727639  5      0.00000065
                               6      0.00002046
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.05280794

     ex.-cor. contribution :   0   -339.81226696  1     -0.00004533
                               2     -0.00940787  3     -0.00075719
                               4     -0.03880600  5     -0.00000038
                               6      0.00016019
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86112355

     eff. pot. contribution     : -10318.86766526
     total double counting contribution                 :  -5343.67598087

   Total contribution of atom 22 =-13580.50995125
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62789825 p = -1150.91718920
                                d =  -209.35236721
       valence  contribution :  s =    -0.58608069 p =    -0.20187169
                                d =    -0.01159334 f =    -0.00312798
                                ns     -0.00898439
     single particle energies  spin  up    
         core   contribution :  s = -2756.18597475 p = -1152.17315997
                                d =  -210.74607185
       valence  contribution :  s =    -0.68685917 p =    -0.30643797
                                d =    -0.01298304 f =    -0.00343886
                                ns     -0.00961614
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.83365448
                                   band energy per atom :   -1.8309932569

     coulomb  contribution :   0   5315.06684348  1     -0.00005937
                               2     -0.00343784  3     -0.00001543
                               4     -0.00727580  5      0.00000063
                               6      0.00002045
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.05607613

     ex.-cor. contribution :   0   -339.81235410  1     -0.00004538
                               2     -0.00940675  3     -0.00072992
                               4     -0.03877518  5     -0.00000038
                               6      0.00016023
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86115147

     eff. pot. contribution     : -10318.87130947
     total double counting contribution                 :  -5343.67638482

   Total contribution of atom 23 =-13580.51003930
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62789831 p = -1150.91718920
                                d =  -209.35236721
       valence  contribution :  s =    -0.58608069 p =    -0.20187169
                                d =    -0.01159334 f =    -0.00312798
                                ns     -0.00898439
     single particle energies  spin  up    
         core   contribution :  s = -2756.18597468 p = -1152.17315997
                                d =  -210.74607185
       valence  contribution :  s =    -0.68685917 p =    -0.30643797
                                d =    -0.01298304 f =    -0.00343886
                                ns     -0.00961614
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.83365447
                                   band energy per atom :   -1.8309932572

     coulomb  contribution :   0   5315.06684340  1     -0.00005937
                               2     -0.00343784  3     -0.00001543
                               4     -0.00727580  5      0.00000063
                               6      0.00002045
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.05607605

     ex.-cor. contribution :   0   -339.81235405  1     -0.00004538
                               2     -0.00940726  3     -0.00071674
                               4     -0.03880132  5     -0.00000038
                               6      0.00016023
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86116489

     eff. pot. contribution     : -10318.87130939
     total double counting contribution                 :  -5343.67639824

   Total contribution of atom 24 =-13580.51005271
                                   sum of band energies :  -31.3469659002
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.80299402
                                eV  : -3231102.70357597
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:02:58:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number            9
25.03.2020 20:02:58:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is  -4.907665629948470E-011  2.524441406875212E-006
  0.526786550524516     
 magnetic moment2 is  -4.907525896956041E-011  2.524441404121791E-006
 -0.254428142720826     
 magnetic moment is   5.184194046270463E-011 -1.431241177606634E-004
  4.912536916502541E-002
 magnetic moment2 is   5.184194046270463E-011 -1.431241177606634E-004
 -1.852889459245982E-002
 magnetic moment is  -1.213981116787587E-004  7.472190060859446E-005
  4.913498208012956E-002
 magnetic moment2 is  -1.213981116787587E-004  7.472190060859446E-005
 -1.852878416757714E-002
 magnetic moment is   1.213980476174046E-004  7.472178911033960E-005
  4.913498244093673E-002
 magnetic moment2 is   1.213980476174046E-004  7.472178911033960E-005
 -1.852878411429035E-002
 magnetic moment is  -1.450703337839421E-011 -4.828775824896200E-004
  5.315832189946190E-002
 magnetic moment2 is  -1.450703337839421E-011 -4.828775824896200E-004
 -2.202315823736613E-002
 magnetic moment is  -4.152107250978102E-004  2.381987796823906E-004
  5.311307229304291E-002
 magnetic moment2 is  -4.152107250978102E-004  2.381987796823906E-004
 -2.206263628900511E-002
 magnetic moment is   4.152109078992368E-004  2.381988920521168E-004
  5.311307370776436E-002
 magnetic moment2 is   4.152109078992368E-004  2.381988920521168E-004
 -2.206263509999964E-002
 magnetic moment is  -4.199092746289270E-011 -1.553367414425770E-006
  5.287330957829273E-002
 magnetic moment2 is  -4.199092746289270E-011 -1.553367414425770E-006
 -2.284926432932874E-002
 magnetic moment is  -3.164791618874563E-010 -2.686048254004023E-003
  0.179873646538351     
 magnetic moment2 is  -3.164936396727464E-010 -2.690990052466109E-003
 -0.125361524538503     
 magnetic moment is  -2.329208987565670E-003  1.340496657629840E-003
  0.179832683176719     
 magnetic moment2 is  -2.333489873044723E-003  1.342965001530586E-003
 -0.125404678799479     
 magnetic moment is   2.329208934028381E-003  1.340496714102500E-003
  0.179832687263852     
 magnetic moment2 is   2.333489819717805E-003  1.342965057872739E-003
 -0.125404674926907     
 magnetic moment is   3.187233264052766E-011  8.238301574028917E-008
  6.124001125161027E-002
 magnetic moment2 is   3.187233264052766E-011  8.238301574028917E-008
 -1.205702228938590E-002
 magnetic moment is   1.185466583838307E-010  6.733807054047020E-004
  0.311443425284653     
 magnetic moment2 is   1.185453778326448E-010  6.743910224771617E-004
  2.379962969648035E-002
 magnetic moment is   5.829412094585336E-004 -3.383289493145260E-004
  0.311413438839169     
 magnetic moment2 is   5.838256135067768E-004 -3.388431245305541E-004
  2.377155805925350E-002
 magnetic moment is  -5.829411291578902E-004 -3.383290011804679E-004
  0.311413438633732     
 magnetic moment2 is  -5.838255333559980E-004 -3.388431763853161E-004
  2.377155786627240E-002
 magnetic moment is  -4.423074038372530E-004  1.062181194559830E-003
  0.281798354406671     
 magnetic moment2 is  -4.422796417013117E-004  1.062102072175679E-003
 -4.140537151101562E-003
 magnetic moment is   7.014000291196314E-004 -9.129053783956613E-004
  0.281738357369183     
 magnetic moment2 is   7.013466567480173E-004 -9.128399391936509E-004
 -4.202117577401132E-003
 magnetic moment is  -7.013998980534902E-004 -9.129050818210830E-004
  0.281738358856999     
 magnetic moment2 is  -7.013465257054655E-004 -9.128396426225151E-004
 -4.202116089429414E-003
 magnetic moment is   4.423077271135650E-004  1.062181243396136E-003
  0.281798350372518     
 magnetic moment2 is   4.422799649471623E-004  1.062102121025561E-003
 -4.140541102835127E-003
 magnetic moment is   1.137006621273825E-003 -1.477251980530586E-004
  0.281815687150106     
 magnetic moment2 is   1.136920523833261E-003 -1.477185436059793E-004
 -4.124319105594854E-003
 magnetic moment is  -1.137006162927586E-003 -1.477254381957241E-004
  0.281815692655884     
 magnetic moment2 is  -1.136920065503846E-003 -1.477187837504584E-004
 -4.124313683443681E-003
 magnetic moment is  -2.079499325014812E-010 -2.698833828370421E-004
  0.294831641011347     
 magnetic moment2 is  -2.079968227817683E-010 -2.700285375213955E-004
 -1.166429141585941E-002
 magnetic moment is  -2.286090023311231E-004  1.366612636118821E-004
  0.294749779690891     
 magnetic moment2 is  -2.286047003295806E-004  1.366587992605310E-004
 -1.174549038279978E-002
 magnetic moment is   2.286089890621097E-004  1.366614468108872E-004
  0.294749785127563     
 magnetic moment2 is   2.286046870596046E-004  1.366589824597883E-004
 -1.174548498652556E-002
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.37635378  0.41229220    0.0359
          p =  0.09970057  0.12752096    0.0278
          d =  3.80240976  4.26331156    0.4609
          f =  0.00893721  0.00998891    0.0011
          ns  -0.01991769 -0.01884345    0.0011
          ------------------------------------
          TOT  4.26748363  4.79427018    0.5268
                           9.06175380
   ========================== 
      2   s =  0.23728323  0.25919199    0.0219
          p =  0.31020846  0.33153455    0.0213
          d =  0.16429898  0.17718589    0.0129
          f =  0.06090452  0.06931561    0.0084
          ns  -0.11772918 -0.13313667   -0.0154
          ------------------------------------
          TOT  0.65496600  0.70409137    0.0491
                           1.35905738
   ========================== 
      3   s =  0.23715933  0.25910066    0.0219
          p =  0.30991716  0.33125549    0.0213
          d =  0.16413216  0.17699057    0.0129
          f =  0.06084829  0.06923896    0.0084
          ns  -0.11749032 -0.13288408   -0.0154
          ------------------------------------
          TOT  0.65456662  0.70370161    0.0491
                           1.35826823
   ========================== 
      4   s =  0.23715933  0.25910066    0.0219
          p =  0.30991716  0.33125549    0.0213
          d =  0.16413216  0.17699057    0.0129
          f =  0.06084829  0.06923896    0.0084
          ns  -0.11749032 -0.13288408   -0.0154
          ------------------------------------
          TOT  0.65456662  0.70370160    0.0491
                           1.35826822
   ========================== 
      5   s =  0.15528357  0.17674531    0.0215
          p =  0.20560879  0.22550355    0.0199
          d =  0.10606351  0.11660567    0.0105
          f =  0.03642043  0.04128652    0.0049
          ns  -0.02362604 -0.02723246   -0.0036
          ------------------------------------
          TOT  0.47975027  0.53290859    0.0532
                           1.01265886
   ========================== 
      6   s =  0.15522305  0.17666736    0.0214
          p =  0.20560718  0.22547711    0.0199
          d =  0.10610295  0.11663737    0.0105
          f =  0.03643036  0.04129801    0.0049
          ns  -0.02362655 -0.02722979   -0.0036
          ------------------------------------
          TOT  0.47973699  0.53285006    0.0531
                           1.01258704
   ========================== 
      7   s =  0.15522305  0.17666736    0.0214
          p =  0.20560718  0.22547711    0.0199
          d =  0.10610295  0.11663737    0.0105
          f =  0.03643036  0.04129801    0.0049
          ns  -0.02362655 -0.02722979   -0.0036
          ------------------------------------
          TOT  0.47973698  0.53285006    0.0531
                           1.01258704
   ========================== 
      8   s =  0.20675445  0.22811138    0.0214
          p =  0.27969524  0.30022013    0.0205
          d =  0.14044214  0.15433723    0.0139
          f =  0.03912495  0.04699075    0.0079
          ns  -0.04081031 -0.05157970   -0.0108
          ------------------------------------
          TOT  0.62520648  0.67807979    0.0529
                           1.30328627
   ========================== 
      9   s =  0.80074970  0.85230837    0.0516
          p =  0.76871526  0.89038256    0.1217
          d =  0.08545079  0.09029898    0.0048
          f =  0.02073282  0.02204512    0.0013
          ns   0.01048669  0.01097388    0.0005
          ------------------------------------
          TOT  1.68613526  1.86600891    0.1799
                           3.55214418
   ========================== 
     10   s =  0.80076719  0.85232245    0.0516
          p =  0.76841284  0.89003389    0.1216
          d =  0.08544994  0.09030409    0.0049
          f =  0.02074228  0.02205494    0.0013
          ns   0.01050276  0.01099233    0.0005
          ------------------------------------
          TOT  1.68587502  1.86570770    0.1798
                           3.55158272
   ========================== 
     11   s =  0.80076719  0.85232245    0.0516
          p =  0.76841285  0.89003389    0.1216
          d =  0.08544994  0.09030409    0.0049
          f =  0.02074228  0.02205494    0.0013
          ns   0.01050276  0.01099233    0.0005
          ------------------------------------
          TOT  1.68587502  1.86570770    0.1798
                           3.55158272
   ========================== 
     12   s =  0.22705267  0.25325197    0.0262
          p =  0.30247886  0.32977804    0.0273
          d =  0.15549977  0.17251082    0.0170
          f =  0.04986049  0.05833784    0.0085
          ns  -0.10993305 -0.12767991   -0.0177
          ------------------------------------
          TOT  0.62495874  0.68619875    0.0612
                           1.31115750
   ========================== 
     13   s =  0.84300016  0.86456887    0.0216
          p =  1.19041297  1.48105937    0.2906
          d =  0.05011732  0.05085647    0.0007
          f =  0.01187862  0.01197418    0.0001
          ns   0.00243059  0.00082418   -0.0016
          ------------------------------------
          TOT  2.09783965  2.40928307    0.3114
                           4.50712272
   ========================== 
     14   s =  0.84298309  0.86456015    0.0216
          p =  1.19042529  1.48103426    0.2906
          d =  0.05011955  0.05085843    0.0007
          f =  0.01188013  0.01197466    0.0001
          ns   0.00244145  0.00083544   -0.0016
          ------------------------------------
          TOT  2.09784950  2.40926294    0.3114
                           4.50711244
   ========================== 
     15   s =  0.84298309  0.86456015    0.0216
          p =  1.19042529  1.48103426    0.2906
          d =  0.05011955  0.05085843    0.0007
          f =  0.01188013  0.01197466    0.0001
          ns   0.00244145  0.00083544   -0.0016
          ------------------------------------
          TOT  2.09784950  2.40926294    0.3114
                           4.50711245
   ========================== 
     16   s =  0.84400566  0.86556104    0.0216
          p =  1.22922627  1.48870334    0.2595
          d =  0.04966040  0.05137048    0.0017
          f =  0.01163833  0.01212931    0.0005
          ns   0.00413772  0.00270255   -0.0014
          ------------------------------------
          TOT  2.13866838  2.42046673    0.2818
                           4.55913511
   ========================== 
     17   s =  0.84397536  0.86553312    0.0216
          p =  1.22927981  1.48869127    0.2594
          d =  0.04966265  0.05137467    0.0017
          f =  0.01163522  0.01212700    0.0005
          ns   0.00414577  0.00271111   -0.0014
          ------------------------------------
          TOT  2.13869882  2.42043718    0.2817
                           4.55913599
   ========================== 
     18   s =  0.84397536  0.86553312    0.0216
          p =  1.22927981  1.48869127    0.2594
          d =  0.04966265  0.05137467    0.0017
          f =  0.01163522  0.01212700    0.0005
          ns   0.00414577  0.00271111   -0.0014
          ------------------------------------
          TOT  2.13869882  2.42043718    0.2817
                           4.55913600
   ========================== 
     19   s =  0.84400566  0.86556104    0.0216
          p =  1.22922627  1.48870335    0.2595
          d =  0.04966040  0.05137048    0.0017
          f =  0.01163833  0.01212931    0.0005
          ns   0.00413772  0.00270255   -0.0014
          ------------------------------------
          TOT  2.13866838  2.42046673    0.2818
                           4.55913511
   ========================== 
     20   s =  0.84396931  0.86553429    0.0216
          p =  1.22933141  1.48881183    0.2595
          d =  0.04966566  0.05137954    0.0017
          f =  0.01163757  0.01212759    0.0005
          ns   0.00413922  0.00270559   -0.0014
          ------------------------------------
          TOT  2.13874316  2.42055884    0.2818
                           4.55930200
   ========================== 
     21   s =  0.84396931  0.86553429    0.0216
          p =  1.22933140  1.48881183    0.2595
          d =  0.04966566  0.05137954    0.0017
          f =  0.01163757  0.01212759    0.0005
          ns   0.00413922  0.00270559   -0.0014
          ------------------------------------
          TOT  2.13874315  2.42055884    0.2818
                           4.55930199
   ========================== 
     22   s =  0.83438263  0.85913423    0.0248
          p =  1.25862766  1.52831678    0.2697
          d =  0.04745005  0.05000284    0.0026
          f =  0.01201932  0.01234593    0.0003
          ns   0.02395408  0.02146560   -0.0025
          ------------------------------------
          TOT  2.17643374  2.47126538    0.2948
                           4.64769911
   ========================== 
     23   s =  0.83438765  0.85913828    0.0248
          p =  1.25870130  1.52830937    0.2696
          d =  0.04745204  0.05000414    0.0026
          f =  0.01201818  0.01234757    0.0003
          ns   0.02395682  0.02146642   -0.0025
          ------------------------------------
          TOT  2.17651599  2.47126577    0.2947
                           4.64778177
   ========================== 
     24   s =  0.83438765  0.85913828    0.0248
          p =  1.25870130  1.52830937    0.2696
          d =  0.04745204  0.05000414    0.0026
          f =  0.01201818  0.01234757    0.0003
          ns   0.02395682  0.02146642   -0.0025
          ------------------------------------
          TOT  2.17651599  2.47126577    0.2947
                           4.64778176
 
############################################
 
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   77.061751
       spin moment in wigner seitz cell =    0.526787
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     0.061751
                              spin magnetic moment =     0.526787
 
  Atom    2 charge in wigner seitz cell =    1.359055
       spin moment in wigner seitz cell =    0.049125
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.359055
                              spin magnetic moment =     0.049125
 
  Atom    3 charge in wigner seitz cell =    1.358266
       spin moment in wigner seitz cell =    0.049135
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.358266
                              spin magnetic moment =     0.049135
 
  Atom    4 charge in wigner seitz cell =    1.358266
       spin moment in wigner seitz cell =    0.049135
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.358266
                              spin magnetic moment =     0.049135
 
  Atom    5 charge in wigner seitz cell =    1.012658
       spin moment in wigner seitz cell =    0.053158
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.012658
                              spin magnetic moment =     0.053158
 
  Atom    6 charge in wigner seitz cell =    1.012586
       spin moment in wigner seitz cell =    0.053113
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.012586
                              spin magnetic moment =     0.053113
 
  Atom    7 charge in wigner seitz cell =    1.012586
       spin moment in wigner seitz cell =    0.053113
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.012586
                              spin magnetic moment =     0.053113
 
  Atom    8 charge in wigner seitz cell =    1.303283
       spin moment in wigner seitz cell =    0.052873
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.303283
                              spin magnetic moment =     0.052873
 
  Atom    9 charge in wigner seitz cell =   49.552141
       spin moment in wigner seitz cell =    0.179874
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.447859
                              spin magnetic moment =     0.179874
 
  Atom   10 charge in wigner seitz cell =   49.551580
       spin moment in wigner seitz cell =    0.179833
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.448420
                              spin magnetic moment =     0.179833
 
  Atom   11 charge in wigner seitz cell =   49.551580
       spin moment in wigner seitz cell =    0.179833
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.448420
                              spin magnetic moment =     0.179833
 
  Atom   12 charge in wigner seitz cell =    1.311155
       spin moment in wigner seitz cell =    0.061240
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =     1.311155
                              spin magnetic moment =     0.061240
 
  Atom   13 charge in wigner seitz cell =   50.507120
       spin moment in wigner seitz cell =    0.311443
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.492880
                              spin magnetic moment =     0.311443
 
  Atom   14 charge in wigner seitz cell =   50.507110
       spin moment in wigner seitz cell =    0.311413
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.492890
                              spin magnetic moment =     0.311413
 
  Atom   15 charge in wigner seitz cell =   50.507110
       spin moment in wigner seitz cell =    0.311413
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.492890
                              spin magnetic moment =     0.311413
 
  Atom   16 charge in wigner seitz cell =   50.559133
       spin moment in wigner seitz cell =    0.281798
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.440867
                              spin magnetic moment =     0.281798
 
  Atom   17 charge in wigner seitz cell =   50.559134
       spin moment in wigner seitz cell =    0.281738
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.440866
                              spin magnetic moment =     0.281738
 
  Atom   18 charge in wigner seitz cell =   50.559134
       spin moment in wigner seitz cell =    0.281738
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.440866
                              spin magnetic moment =     0.281738
 
  Atom   19 charge in wigner seitz cell =   50.559133
       spin moment in wigner seitz cell =    0.281798
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.440867
                              spin magnetic moment =     0.281798
 
  Atom   20 charge in wigner seitz cell =   50.559300
       spin moment in wigner seitz cell =    0.281816
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.440700
                              spin magnetic moment =     0.281816
 
  Atom   21 charge in wigner seitz cell =   50.559300
       spin moment in wigner seitz cell =    0.281816
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.440700
                              spin magnetic moment =     0.281816
 
  Atom   22 charge in wigner seitz cell =   50.647697
       spin moment in wigner seitz cell =    0.294832
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.352303
                              spin magnetic moment =     0.294832
 
  Atom   23 charge in wigner seitz cell =   50.647780
       spin moment in wigner seitz cell =    0.294750
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.352220
                              spin magnetic moment =     0.294750
 
  Atom   24 charge in wigner seitz cell =   50.647780
       spin moment in wigner seitz cell =    0.294750
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION   9 charge neutrality in unit cell =    -1.352220
                              spin magnetic moment =     0.294750
 
                    TOTAL mag. moment in unit cell =     4.996524
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:06:31:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:31:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  4.2082D-01  ,  v+ - v- =  3.6834D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.3736D-01  ,  v+ - v- =  3.0567D-03
      rms-error for atom  2 :v+ + v- =  3.6348D-02  ,  v+ - v- =  3.9671D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  7.4834D-02  ,  v+ - v- =  1.5117D-03
      rms-error for atom  3 :v+ + v- =  3.6642D-02  ,  v+ - v- =  3.9668D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  7.5312D-02  ,  v+ - v- =  1.5161D-03
      rms-error for atom  4 :v+ + v- =  3.6642D-02  ,  v+ - v- =  3.9668D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  7.5312D-02  ,  v+ - v- =  1.5161D-03
      rms-error for atom  5 :v+ + v- =  6.9863D-02  ,  v+ - v- =  4.6698D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  5.8057D-02  ,  v+ - v- =  9.1899D-04
      rms-error for atom  6 :v+ + v- =  6.9679D-02  ,  v+ - v- =  4.6700D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  5.8357D-02  ,  v+ - v- =  9.1955D-04
      rms-error for atom  7 :v+ + v- =  6.9679D-02  ,  v+ - v- =  4.6700D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  5.8357D-02  ,  v+ - v- =  9.1955D-04
      rms-error for atom  8 :v+ + v- =  6.5020D-02  ,  v+ - v- =  4.3295D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  6.4397D-02  ,  v+ - v- =  1.6350D-03
      rms-error for atom  9 :v+ + v- =  8.6051D-02  ,  v+ - v- =  4.6323D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  5.7170D-02  ,  v+ - v- =  8.9003D-04
      rms-error for atom 10 :v+ + v- =  8.6170D-02  ,  v+ - v- =  4.6323D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  5.7302D-02  ,  v+ - v- =  8.8938D-04
      rms-error for atom 11 :v+ + v- =  8.6170D-02  ,  v+ - v- =  4.6323D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  5.7302D-02  ,  v+ - v- =  8.8938D-04
      rms-error for atom 12 :v+ + v- =  9.5551D-02  ,  v+ - v- =  3.9063D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  3.7519D-02  ,  v+ - v- =  1.4219D-03
      rms-error for atom 13 :v+ + v- =  1.1418D-01  ,  v+ - v- =  3.7535D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  3.4015D-02  ,  v+ - v- =  1.0949D-03
      rms-error for atom 14 :v+ + v- =  1.1430D-01  ,  v+ - v- =  3.7535D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  3.4227D-02  ,  v+ - v- =  1.0955D-03
      rms-error for atom 15 :v+ + v- =  1.1430D-01  ,  v+ - v- =  3.7535D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  3.4227D-02  ,  v+ - v- =  1.0955D-03
      rms-error for atom 16 :v+ + v- =  1.0682D-01  ,  v+ - v- =  3.7915D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  3.4464D-02  ,  v+ - v- =  1.1296D-03
      rms-error for atom 17 :v+ + v- =  1.0668D-01  ,  v+ - v- =  3.7916D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  3.4476D-02  ,  v+ - v- =  1.1202D-03
      rms-error for atom 18 :v+ + v- =  1.0668D-01  ,  v+ - v- =  3.7916D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  3.4476D-02  ,  v+ - v- =  1.1202D-03
      rms-error for atom 19 :v+ + v- =  1.0682D-01  ,  v+ - v- =  3.7915D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  3.4464D-02  ,  v+ - v- =  1.1296D-03
      rms-error for atom 20 :v+ + v- =  1.0679D-01  ,  v+ - v- =  3.7915D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  3.4452D-02  ,  v+ - v- =  1.1368D-03
      rms-error for atom 21 :v+ + v- =  1.0679D-01  ,  v+ - v- =  3.7915D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  3.4452D-02  ,  v+ - v- =  1.1368D-03
      rms-error for atom 22 :v+ + v- =  1.1235D-01  ,  v+ - v- =  4.1289D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  3.4136D-02  ,  v+ - v- =  8.1849D-04
      rms-error for atom 23 :v+ + v- =  1.1228D-01  ,  v+ - v- =  4.1290D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  3.4207D-02  ,  v+ - v- =  8.1802D-04
      rms-error for atom 24 :v+ + v- =  1.1228D-01  ,  v+ - v- =  4.1290D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  3.4207D-02  ,  v+ - v- =  8.1802D-04
      ITERATION   9 average rms-error : v+ + v- =  1.3727D-01
                                        v+ - v- =  4.1061D-02
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.401980874110386E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.612932767205234E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.543221787462294E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.994728729873126E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.522219611220566E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.435663088519049E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.116185686237491E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.242735016862129E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  8.885542594473082E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.313392730840221E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.443580748595417E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.629976481209335E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.854925513030609E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.410605700722800E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.978357065518805E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.647638254181536E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.677067363237670E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.022991615322982E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.574010636201779E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.403375508603864E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.370332031465284E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.003860043338836E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.874200160025809E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.075107533480095E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.003086850055426E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.739004186316858E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.312999961876995E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.164400267550145E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.750124484429813E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.734157524740398E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.309397328963006E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.210019568593005E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.292943661187561E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.727486729642454E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.115910981032538E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  7.596997065617529E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  1.021626266008373E-010
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  2.591886323565676E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  5.435700751036123E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.523224835023140E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  7.433452404712337E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.968176625596368E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  8.878306442833841E-011
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.345577268997669E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.239378165295927E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  2.012166929735342E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.744127171352873E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.230299876325398E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  6.929470135562116E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  1.034736891470122E-003
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.849921850283486E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.774369263601648E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  6.899292602354548E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.087031326999559E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  1.466802324069647E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.166418766265798E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.009601474689866E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.099848240610416E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  8.041612844238748E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.563608009607547E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.584162363680057E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  1.387498161774276E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.599718394638075E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  9.054225567215411E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  1.568758591936766E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  6.753754349768075E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  1.370550532912654E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  5.180516611106844E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  8.976911529722081E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  1.111420225112128E-003
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  3.086965752820169E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  5.866073544979438E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  7.340743743740588E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  6.976328161746592E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  9.044017573454799E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  4.015813491822274E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  3.497105486382874E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  7.954569606446691E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  1.270294800005789E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  1.387498051570443E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  2.599338395552412E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  9.054225276625607E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  1.568758680286763E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  6.747641221983217E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  1.370550482695041E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  5.180516423090080E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  8.976911302491006E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  1.111420181810481E-003
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  3.087367179382912E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  5.864923050521585E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  7.340743610503579E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  6.976328103028184E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  9.044017204296544E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  4.015813379340766E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  3.496851384174771E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  7.954569282907299E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  1.270294888065745E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  1.724782395377634E-010
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  3.765233717745723E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  7.863968880694542E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  1.613096819151601E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  8.248376845144341E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  1.699210426141228E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  1.782694206728388E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  9.959629253737566E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.295781950792572E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.021107809960041E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  1.447924704277101E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.442357748292771E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  9.403556453541450E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.008476256024888E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  1.322364524962325E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  2.080892529964014E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  1.248983252853842E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  9.862398998606932E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  3.978928106555681E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  2.400631640205466E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  2.245554450310281E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  1.781539262708957E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.166175058677831E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.293698405073697E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  8.330671017641761E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  4.594335301936396E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  6.168855371875359E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  1.488916540805300E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.761978582560142E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  1.267210793091876E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.731332266263445E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  1.612943624354839E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  5.787294333877546E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  1.701028588366202E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  1.243763901165680E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  5.511708250934660E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  1.143634057601865E-003
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  8.127193410305342E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  7.234100879111747E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  1.252294342106907E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  4.693746192415185E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.238315980257013E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  6.602994747090562E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  7.081126240486569E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  1.249598387937108E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  3.980647285440519E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  6.080585282881094E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.249096012316839E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  6.723859539419080E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  9.291923203983534E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  1.097378328752480E-003
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  1.287627608830808E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  2.294511845016667E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  3.988721531964418E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  7.440721226241886E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.401480952007635E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  6.334471852520021E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  1.609516372454415E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  1.612943567717693E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  5.787294034245800E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  1.701028535295481E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  1.243763869465368E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  5.511661302753439E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  1.143634174483795E-003
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  8.127193905636369E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  7.234100701852057E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  1.252294478996714E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  4.693746169793821E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.239022794477689E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  6.602994654307528E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  7.081125977121555E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  1.249598349905359E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  3.980647070825600E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  6.080584994217765E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.249085111328285E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  6.725183875151487E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  9.291923052006003E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  1.097378565271802E-003
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  1.287627658107727E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  2.294511687058663E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  3.988723020848422E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  7.440721085826826E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.401351548767394E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  6.334471667422053E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  1.609516630587770E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.182898810968101E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  1.049495766882299E-010
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.462434894487999E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  6.615890586921008E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.611870950134969E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.354092367597101E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.029454026171449E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.740298206274241E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.149943104712999E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.225099523838037E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.169695557707661E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.563927492246143E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.560625545550870E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  8.201029900734355E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.908045484736517E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.735902219040132E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.738197510202872E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.629789646230769E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.973417811569744E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.430960157804569E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.683192235308192E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.402588943619634E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.498734404866767E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.243666242530205E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.274146827833253E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.663376985291828E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.484101437896504E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164240923955130E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.094182419245227E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  9.633613635888582E-011
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.605834543368734E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.289304977334863E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.098226728490122E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.587370494228666E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.454608699509583E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.370852095524469E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.208639985224268E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  8.384627248430721E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.427318329174385E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.781574846273541E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  8.181711009547420E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  1.019146352746057E-003
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  1.918533430511657E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  1.597559456251163E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.354798023169273E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.727234843916907E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  8.760416079299096E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  6.921546105427338E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  9.205147800204920E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  7.811733630908445E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  8.025108295818373E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  7.687589940523571E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  7.782039670282804E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  1.390088746815233E-011
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  5.513715642671217E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  7.718144854776713E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.064131114492218E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.158440280390147E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.726391137493375E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  4.475779473149392E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.118591357046906E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  6.322220762317874E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  1.290972737730535E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.581842625620661E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  9.473584214831247E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.799286533538379E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  6.132503046723851E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  3.718711404570873E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  5.109408526074378E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  8.809482627039503E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  6.744656746578800E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  6.951483340587412E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  7.954475139457999E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  4.374104402102912E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  7.585545802749926E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  4.595109501550470E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.441785927986929E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  4.000947357790370E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  3.816051462785534E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  6.697410587791356E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  9.896414444719611E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  3.845924124696256E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.532611874460927E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  9.306888608272329E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  6.664970926123527E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  3.928966197918772E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  2.246771076144436E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  5.319668327668597E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  8.195691092649949E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  6.451538116657842E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  1.118271594264373E-003
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  4.739215261807484E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.709488765570833E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  3.061591514942415E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  3.871081079122443E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  5.109408103382817E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  8.809482272524389E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  6.744744236143492E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  6.951483768181303E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  7.954475928206048E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  4.374104176397509E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  7.585547049301409E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  4.595109215663491E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.441959277332654E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  4.000947058430073E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  3.816051333025978E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  6.697410951366111E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  9.896414111122112E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  3.845924138591129E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.532641651472663E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  9.306888300803342E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  6.664971328302883E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  3.929813161111344E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  2.246771175376045E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  5.319669397174327E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  8.195690368838346E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  6.451537936486439E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  1.118271599916517E-003
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  4.739215160297892E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.710208059208176E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  3.061591323616255E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  3.871079597153188E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.718993051574062E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.518819372133819E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.708475134968753E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  2.956298061706062E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.094534590882077E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  5.132704714056568E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  8.150220355472906E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.153943253979662E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.856988630898001E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.562232561972819E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.418711348596271E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.957588315114219E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.019335610856708E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  6.351759720847456E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.912620218558451E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.184040063667213E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.197333308020443E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.194964118802370E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.282821121334779E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.899074231575649E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.170180854488341E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.296481761205631E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.666896194630412E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  3.865017498076694E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.185171665484046E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  2.129226154196982E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.750061084539197E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.290080749422906E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  4.233115108879641E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.916841802801948E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.376340990609658E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.645922796556103E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.217728032102538E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.448779858356412E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.046849163540097E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  8.980451654821818E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.333137970112545E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  5.646990363779865E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.153167113229333E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  3.868761070400639E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  1.067807359274077E-003
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.588561118448013E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  1.038513583210745E-010
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  9.469789420386616E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.415264238404989E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.492086332551099E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  1.151452675450360E-003
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.602816585808559E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.266492914901548E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  3.045383980518188E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  2.293487019736031E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.342996328303352E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.190819675933915E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  2.831859834752349E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.570272680187274E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  9.406838938427570E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.338001278245170E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  7.099839510824463E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.031311862991439E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.045117553111962E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  3.595224421628458E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  7.857750332866520E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.021228823035440E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  3.391737089186286E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.728213668928342E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  3.788669037401529E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.648913308384625E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  8.106328753714424E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  9.270673955167816E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  5.363432995763396E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  7.708533608998218E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.252533793856003E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  2.640663464555393E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  5.768679474428352E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  9.983739345669298E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  7.371070818689120E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.310687644578344E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  1.524956825987150E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  1.155180343736829E-004
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  6.154138090697209E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  8.163825889442689E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  1.424101503815438E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  2.453062449326413E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  4.709676894697331E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  4.786365919813178E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  3.556411129076416E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  1.988779353439458E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.647074749800987E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  1.799863861312488E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  3.287279232076961E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  1.696692576811884E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  2.942030908443676E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  1.897706762227326E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  3.654108961867949E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  4.872834744617930E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  3.119764103008770E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  9.270670142377989E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  5.363432836544559E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  7.708533514862197E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.251856088946297E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  2.640663715717619E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  5.768679223679672E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  9.983742183143766E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  7.371070670346610E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.310564797539068E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  1.524956775364714E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  1.155180308637326E-004
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  6.154137077901425E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  8.163826864491356E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  1.424101416263177E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  2.453063041596667E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  4.709676751538255E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  4.787488825624157E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  3.556411048885600E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  1.988777890637593E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.645658701572321E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  1.799863830202701E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  3.287279664159710E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  1.696692552149162E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  2.942030525798183E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  1.897706698644466E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  3.653085645065209E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  4.872834641072424E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  3.119763990443656E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  6.134950494198974E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.503524888007035E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  5.065451123398776E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  8.389947876043496E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  4.066696232251942E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  2.564854116337754E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  9.288643304753923E-005
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  4.884136987375634E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  9.040220782491348E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  1.418493667466293E-004
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  1.397612253044900E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  1.063984859514270E-004
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  1.111667640710906E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  6.212297952579735E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  3.243382459126334E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  2.614475594709059E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  1.670059100366059E-004
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  5.891052164231031E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  7.751204011722405E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  1.273166479979673E-004
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  1.634858377211892E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  4.058068225393762E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  1.035551993948485E-004
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  1.298655524698272E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  1.600021125712835E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  6.629134361459509E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  1.469265115113058E-004
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  1.409857987094362E-004
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  9.104123876374903E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  4.093884054921338E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  7.324351823726855E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  4.730981850583604E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  1.095438245892825E-004
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  2.120454155801483E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  8.753067519989352E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  2.360034891337263E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.077910327394452E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  6.923245544584490E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  4.218754838960061E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.315581337045124E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  1.049587653620446E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  4.880238620595567E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  3.077737848361968E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  9.596638008969460E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  5.439363379358536E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  1.688065246865954E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  1.536563861709956E-004
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  6.256678920605391E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  1.417190840022531E-004
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  5.421636994066995E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  4.077812420948940E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  1.350014807090050E-004
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  8.528309672434375E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  1.244036915128542E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  1.109565878838003E-004
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  4.066214399725995E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  1.941338532047277E-004
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  2.916659340708662E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  1.597345171379177E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  1.649586802076279E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  4.239530575953966E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  3.998221931325404E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  6.940207783737189E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  7.335081365483851E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  1.553354177306100E-004
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  4.702701018224155E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  1.804630270223727E-004
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  1.525318307869572E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  8.753062232746875E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  2.360034842393375E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.077903884124900E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  6.923233403885732E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  4.218754606955298E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.315581953846524E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  1.049587642196838E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  4.880236716255898E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  3.077734890445706E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  9.596635855557666E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  5.439362302057051E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  1.688061912012473E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  1.536563534772782E-004
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  6.256692611324635E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  1.417190490982508E-004
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  5.421636414546894E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  4.077799320735760E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  1.350012555361999E-004
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  8.528307143517856E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  1.244035520385578E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  1.109565730694001E-004
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  4.066226343670021E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  1.941338129031494E-004
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  2.916657146377593E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  1.597343220699707E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  1.649586523966577E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  4.239520480996986E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  3.998218740179306E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  6.940206509542335E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  7.335068650028175E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  1.553353929104493E-004
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  4.702691782727709E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  1.804629889810671E-004
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  1.525316583215172E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  6.134950947146594E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.503517588630480E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  5.065450602398722E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  8.389939899945425E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  4.066696282432798E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  2.564852932185373E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  9.288642051171661E-005
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  4.884138146854349E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  9.040209236873380E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  1.418494647182795E-004
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  1.397612068368637E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  1.063981607256281E-004
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  1.111667405443327E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  6.212284541715105E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  3.243382075666990E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  2.614475278984400E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  1.670060675068494E-004
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  5.891058461613257E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  7.751203392568149E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  1.273165184924782E-004
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  1.634858193340568E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  4.058056331640917E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  1.035551697358832E-004
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  1.298653719396440E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  1.600022776356736E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  6.629133250939908E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  1.469265821260198E-004
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  1.409857254250978E-004
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  9.104122472832847E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  4.093890557353910E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  7.324350845974079E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  4.730990294247038E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  1.095438011136507E-004
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  2.120452467027121E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  3.343877243149582E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  2.063990959607529E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  2.025897272563832E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.638191277892331E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.068705218547046E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  6.991332926575238E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  4.804477864549825E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  6.315252750508353E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  4.888318057939061E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  2.602397569511867E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  1.382774502789761E-004
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  1.529788449558716E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  8.066906944247260E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.170722753225437E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  6.255190326849583E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  2.096770501141205E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  2.359170637043094E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  1.693775848432922E-004
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  1.528298509649186E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  1.422439303357584E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  4.604614171294846E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  7.857163818886565E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  4.121984470836239E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  1.028694608849857E-004
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  1.655584837458731E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  1.597872828158865E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  2.061285837502526E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  1.660887688652901E-004
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  1.300365372988391E-004
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  4.255640126038607E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  8.887599424288826E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  9.428860417626989E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  4.716040838301650E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  8.173244421798840E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  8.430274935984190E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  3.343876715782979E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  2.063990411547382E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  2.025897226443916E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.638198130069508E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.068705052451076E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  6.991333612436800E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  4.804478792570590E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  6.315253640708212E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  4.888319503794186E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  2.602394841800078E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  1.382773351220608E-004
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  1.529788471785477E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  8.066883362436578E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.170722747467639E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  6.255177315014990E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  2.096770575563676E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  2.359170682618773E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  1.693773801901651E-004
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  1.528296370279844E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  1.422439301298900E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  4.604610169300750E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  7.857164268834216E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  4.121972624066900E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  1.028694534128985E-004
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  1.655582894213763E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  1.597874602295110E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  2.061285838580740E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  1.660886657551243E-004
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  1.300365992234044E-004
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  4.255640415425205E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  8.887586485988474E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  9.428859878543603E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  4.716049554025446E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  8.173243416257290E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  8.430284629405155E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  1.560058060350916E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.208537384936854E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.116714436442487E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  3.232745235989220E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.211890482759456E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  3.599656983641092E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  5.341988153973156E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  2.795722738843643E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  3.420316188463230E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.604255430123344E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.253694802284054E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  5.053580613714847E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  5.000619323331701E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.466146604674698E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.568545539832388E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.489472926672613E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  1.037778369318401E-004
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  5.295816334902568E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  4.504274223373059E-012
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  5.068063490915960E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.008899161237141E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  3.317036381811464E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  4.875526382691199E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  8.778303047244710E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  1.339875983830593E-004
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  8.448404141418709E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  3.024116164462790E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  7.013621618859499E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.705289198545409E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  1.229567112119927E-004
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.623875372263463E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.269488455643858E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  2.094591664781952E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.428410078339926E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  1.661373057332408E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.256816070294985E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  1.178054731541311E-004
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.387503120322130E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  2.764407742599895E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  3.772047249252684E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  6.610746451920578E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.605621819066809E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.220733792261229E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.960382689299780E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  2.647386055745816E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  4.650223694869685E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.721768781061821E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  2.091097053660324E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  9.371692519231578E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.332476905366732E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  2.525475738257318E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  4.415819728668500E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  7.737221810370215E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.353987442584351E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  5.371326832370571E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  2.668072111372875E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  2.739391095549541E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  5.066935400925295E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  1.170716090889265E-004
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  1.645824817320760E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  4.877109240293356E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  2.880932386927783E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  6.741188120136261E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.673426796300063E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.508345083011654E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  4.635672507379196E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.682244393007624E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  6.172668278470319E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  1.069115818682631E-004
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  1.463002871680603E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  1.053857622332315E-004
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  1.844632708885394E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  8.434548256799004E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.568812141284957E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  6.106929147216762E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  1.068144301428848E-004
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  2.764401058800029E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  3.772047209075816E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  6.610734491798587E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.605621786330701E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.220733779619223E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.960382955414236E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  2.647386075718832E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  4.650223363045984E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.721768690612025E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  2.091159852086958E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  9.371667339545600E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.332476968330694E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  2.525475671269040E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  4.415814897206104E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  7.737221497292662E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.355134385940121E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  5.371326896187667E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  2.668072122328428E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  2.739391422725615E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  5.066935153272949E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  1.170716339899694E-004
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  1.645824808164681E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  4.877108992738589E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  2.880932302730027E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  6.741188105352949E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.673486142789536E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.508345313313487E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  4.635673338484283E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.682309160491774E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  6.172668144788626E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  1.069112653653298E-004
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  1.463000310839088E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  1.053857588947255E-004
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  1.844632347258804E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  8.434548071806683E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.553498719925977E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  6.106929258264121E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  1.068141459557435E-004
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.230181425520334E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.495871157853973E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.690221317371688E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.559316718560536E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.272778545666956E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.245389577878974E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.262472127139470E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.466060960427713E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.146982329382363E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.943016174421626E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.847415429235230E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.591960172487891E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  7.436501649627776E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.731140313252527E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.915804805337724E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.698172968368636E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.359684960556425E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  2.861202973716758E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.642778242479769E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.370612304846875E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.285588232153121E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  8.792582160076493E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  9.064389369613091E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  1.035601925644254E-006
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.662914355952594E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.445425526686180E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.225873820022053E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.134902249724919E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  7.145316385038959E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  7.879950299657841E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  4.259328648629225E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  1.030388380501295E-006
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.782354908071601E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.527639459657643E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.117398035902011E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.564403877500997E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  1.029411464889433E-010
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  2.846333763500326E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  6.071496729673612E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.849577742721348E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  8.091958687596440E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.044738389506518E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  9.654464922391605E-011
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.467198851176195E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.237273308270504E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.116899260928081E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.926119327712521E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.287224082226198E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  6.877565375517471E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  1.077132140532281E-003
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.130702687467467E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.937837426514761E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.778902012147686E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.078632107719852E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  1.600749671283744E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.225493522753713E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.004734767080385E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.182305911264761E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  8.280201154261807E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.597355188737717E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.730505246990943E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  1.409188117450195E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.509402576496829E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  9.698683589362327E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  1.680857126648980E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.766496618139838E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  1.482396511370591E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  5.387634138589434E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  9.336716144003229E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  1.128112076556809E-003
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.645417883381828E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  5.243937542662562E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  8.012319056901223E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  7.183873626997217E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  9.376398968729936E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  4.136687808256267E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.171754138818120E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  8.166869770211757E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  1.386659543123129E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  1.409188015231463E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.508978179433580E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  9.698683281072841E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  1.680857224348743E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.761265658879329E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  1.482396467135470E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  5.387633962072178E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  9.336715856870801E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  1.128112034724315E-003
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.645344911394475E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  5.242815422946133E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  8.012318911285862E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  7.183873563430706E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  9.376398619254627E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  4.136687703811239E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.171373431236916E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  8.166869473583523E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  1.386659639023069E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  1.930830721834891E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  4.331741854046512E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.439862845648933E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  1.653432611259028E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  8.751597661941188E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  1.797545948764300E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  2.021579039421654E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  1.101600790344003E-010
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.345757484761965E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.089445482249190E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  1.513283112485045E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.483809776069928E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  9.837491733829620E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.089920649702925E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  1.369025855470118E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  2.157488797951152E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  1.260649718544236E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  1.040450668148863E-011
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  4.302623967671865E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  2.711589504164352E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  2.321819940162155E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.893433165231685E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.051493297119257E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.398049400248060E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  9.329907417829622E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  4.658639470420391E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  6.275702723306638E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  1.579559985351603E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.797473747517500E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.349356622881670E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.905215524391408E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  1.652926704559431E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  6.017847872055661E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  1.799049075940744E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  1.273585453473804E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  6.430626422316832E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  1.184054914735450E-003
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  8.502140551183929E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  7.558231847882818E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  1.308759992968694E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  4.910830820001044E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.703712181734875E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  6.834379381525654E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  7.037595800842971E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  1.261197600331148E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  4.305422065505692E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  6.263172005485269E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.378235376641246E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  6.614669991321347E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  9.801028970139493E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.168457375790154E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  1.365921754207549E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  2.326528621976567E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  4.044752309918735E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  7.891191480827393E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.587536730946663E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  6.742953538683624E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  1.698017546990533E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  1.652926653787118E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  6.017847503551696E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  1.799049038284506E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  1.273585417605848E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  6.430582666256366E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  1.184055052287547E-003
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  8.502141166102217E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  7.558231581280006E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  1.308760145490779E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  4.910830752282432E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.704440303558898E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  6.834379239006959E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  7.037595545751062E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  1.261197561609562E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  4.305421822798850E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  6.263171739185714E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.378223904858250E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  6.616035530084156E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  9.801028738571007E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.168457626922594E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  1.365921816852916E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  2.326528436677638E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  4.044753799465777E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  7.891191273497169E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.587406677506727E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  6.742953283192933E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  1.698017822177886E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.499723559616760E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.157040775061082E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.611021394461602E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.180969257974755E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.136000356505351E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.314478997145006E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.002496432110143E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.574290728368704E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.246545940790957E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.791781336425034E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.243939744930845E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.623923369550932E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.736080138589935E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  8.119555806949442E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.979915687189666E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.043565735012251E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.850992531356524E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.235038470400216E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.296411768814862E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.708948696602510E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  4.105536252407773E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.536938996049342E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.713978059252034E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.642069217736008E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.467368596550353E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.256049198678387E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.167523451355165E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.172389205878481E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.980456602331453E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.026392679513791E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  5.978323050862126E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.411610522343720E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.550548573732722E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.794607938485460E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.472589837497419E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.696193095826430E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.281770893676222E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  8.776800279396911E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.469563208805599E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.273904684801145E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  1.076949911143566E-010
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  1.148562041394826E-003
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  2.895375357933780E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  2.569718737611040E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  5.996605405987994E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.559999004280813E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  9.154914541079854E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  6.302744249267416E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  9.218222118108071E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  7.886483592709087E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  8.207882972279907E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  7.335102209591489E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  7.624945274919270E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  1.623876679156100E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  5.342157447812312E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  7.274396089578046E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.281250260208497E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.619962726112661E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  8.887715745271801E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  4.133983500474182E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.625844037226396E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  5.657114725953286E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  1.328387786655544E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.734323132992857E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  9.876094024406409E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.708365844187233E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  6.077462216935820E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  3.435028657190794E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  5.754994172799035E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  9.924829294886668E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.386339468811812E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  7.111566424485080E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  7.963652069298969E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  4.571294023128401E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  7.927047734522317E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  4.601862926641761E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.801744268098125E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  4.091543826290428E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  3.638849626059059E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  6.314040301351963E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  1.018844906610534E-003
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  3.623682921756365E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.678856168095036E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  9.059735384191515E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  6.360190578721036E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  4.408433592446468E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  2.074987133161761E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  5.271891192720636E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  8.542240823679617E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  6.637752092539445E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  1.150610605613669E-003
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  4.940464696702119E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.134861158007305E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  3.034009834305738E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  3.574054762470158E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  5.754993657521506E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  9.924829064155171E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.386415225107754E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  7.111566874014590E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  7.963652857387426E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  4.571293815650841E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  7.927048945263157E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  4.601862663844102E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.801912052930131E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  4.091543542529807E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  3.638849511265639E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  6.314040665690419E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  1.018844871123214E-003
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  3.623682917276283E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.678883584934205E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  9.059735135397609E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  6.360190917722771E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  4.409301468077216E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  2.074987183207979E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  5.271892171591578E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  8.542240114983707E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  6.637751885508159E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  1.150610610247039E-003
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  4.940464580195247E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.135578159858043E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  3.034009662088141E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  3.574053407605531E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  7.187897280122242E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.384195052792578E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.925212208275929E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  3.129507665214002E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.223447286774102E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  5.675915751037834E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.948853798020171E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  1.037745050802298E-006
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.097202441402833E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.749742464847472E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.663189226066412E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.058278601035576E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.016479085431540E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  6.125272871052043E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.922974412429286E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.138694365302807E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.228075930454678E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.242923234926328E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.238353547690358E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.147312682098984E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.871748455414772E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.865854131835502E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.121603331439579E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.471434028727343E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.274574499561858E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  2.108729000006181E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.871309409132156E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.289164187484087E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  4.395006445081745E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.392990293863193E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.549552544049358E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.442660784273300E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.751628672374062E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.428562381735192E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.050819846118101E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  9.356605198976120E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.523217389962404E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  5.657976802872696E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.115013807950353E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.509991635584159E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  1.059202582205840E-003
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.650196613775068E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.104236232993186E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  8.404436188026116E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.385952264216868E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.467804728137585E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  1.126539391771074E-003
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.524153846293497E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.620911577683990E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  3.090427359025048E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  1.733884281867463E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.366529590890477E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.196558310909128E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  2.475720327853500E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.458404492554216E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  9.754387980223972E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.300345118794167E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  6.236392958330980E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.050481517433766E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  9.995765974269002E-011
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  3.603571518579485E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  8.237087046165080E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  2.943069392580883E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  3.304898312418593E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.638570292185864E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  3.726701698746799E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.398610194212318E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  7.833341863022428E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  9.197129529075528E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  5.315601449512804E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  8.019609310239483E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  3.032207818419799E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  2.679850156458237E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  5.646227444054828E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  9.768564436760422E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  7.034968474407959E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.223732079953188E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.545871300553623E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  8.728226155379056E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  5.407430401758753E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  8.466201585312778E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  1.247301168909679E-004
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  2.144580441677411E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  4.883331809733066E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  4.698652693207574E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  3.125947679663816E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  1.504584670922419E-004
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.469768310745566E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  1.803961366410994E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  3.234303998043758E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  1.653054126177371E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  2.867129567939194E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  1.866794030403278E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.428900479358858E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  4.418197177767673E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  3.127500571628888E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  9.197125918427082E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  5.315601268204241E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  8.019609154042184E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  3.031681584221849E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  2.679851115849107E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  5.646227198508532E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  9.768567135441132E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  7.034968339014380E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.223627109351433E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.545871226348527E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  8.728226055318819E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  5.407429618274585E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  8.466202610694414E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  1.247301097740036E-004
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  2.144581114923744E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  4.883331643615194E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  4.699764664828323E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  3.125947623266734E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  1.504583771732882E-004
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.468415512205562E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  1.803961329505828E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  3.234304379718029E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  1.653054096599920E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  2.867129338061317E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  1.866793963164597E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.427950759928654E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  4.418197098441365E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  3.127500400763362E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.163104499470581E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.008026405722169E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.907471523092865E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.180743244635544E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  3.386007636457697E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.358760211081934E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  4.432564233660016E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  4.795623407871864E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.727530961363677E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  1.457462263400512E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  1.361183322993757E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  3.689710265187978E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  5.383105685853946E-005
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  5.388794021381486E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  2.054788836655778E-004
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  1.423361004847537E-004
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  9.539306015186282E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  6.629349273638582E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  6.676314094770767E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  9.305835070491131E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  7.259798318186670E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  3.222669638149743E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  2.391276195627552E-005
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  1.557832492878174E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  1.551739283056855E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  3.266205276911213E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  5.609008137354201E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  7.193477533635650E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  4.454479142689245E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  3.770562844376726E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.587894961344646E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  4.900548745323232E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  4.338910812220122E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  1.723524134326383E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  6.748479069261580E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.614962907663411E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  5.439209409327640E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  9.350046202905600E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.597095170346160E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.305895083031935E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  8.813954641470590E-005
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  4.793534770183447E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  2.501013993635504E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  8.629664017366858E-005
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  7.749649438081857E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  1.188320625573400E-004
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  1.285590935556656E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  5.413112770317247E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.029418911493993E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  7.113338265613399E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  5.351431677309499E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  6.533303599740222E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  7.026015930518978E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  9.259519691182633E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  7.461307755645101E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  3.225152734312714E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.341572195271373E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  2.036690194223639E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  1.549762660024720E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  1.360070402395851E-004
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  2.417477888796320E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  3.106866957800606E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  4.949039054275929E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  3.251495063337668E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  7.580159790304703E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  4.876378050943563E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  6.795762736234325E-005
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  1.151950968382923E-004
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  6.748473650217576E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.614962722838982E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  5.439205872980076E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  9.350031833166551E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.597094920457637E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.305895884442833E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  8.813956324339614E-005
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  4.793532923029406E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  2.501011219082592E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  8.629667522419668E-005
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  7.749649555207062E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  1.188317495475297E-004
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  1.285590702784668E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  5.413125232236829E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.029418909148463E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  7.113337269948455E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  5.351450935317172E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  6.533282823435896E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  7.026014317598139E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  9.259507039571251E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  7.461306912075437E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  3.225162268880442E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.341568928444286E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  2.036688025623382E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  1.549760735576275E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  1.360070137621476E-004
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  2.417474177012246E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  3.106864105694616E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  4.949037933910312E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  3.251481964766776E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  7.580157603323680E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  4.876368601114106E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  6.795760435526395E-005
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  1.151949275759533E-004
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.163104762320475E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.008033849921666E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.907470761965555E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.180742059303341E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  3.386007666578393E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.358758933090725E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  4.432562099996726E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  4.795624303865888E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.727529239997007E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  1.457462909704754E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  1.361183133074564E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  3.689702684923536E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  5.383104709214288E-005
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  5.388781603503986E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  2.054788496120976E-004
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  1.423360646039217E-004
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  9.539322428594920E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  6.629349363241905E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  6.676313410585940E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  9.305820302087854E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  7.259796722580425E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  3.222659961915409E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  2.391277352652603E-005
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  1.557830648280766E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  1.551740835038096E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  3.266203908652475E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  5.609011256277640E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  7.193471485211108E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  4.454477797493451E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  3.770566188743262E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.587894073438011E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  4.900557245626665E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  4.338910072477937E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  1.723522448254526E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  3.197443960508355E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  3.953607245135683E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.614897017385070E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  3.237163858768848E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  4.347011201861241E-005
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  1.280220625978687E-004
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  4.632036031482616E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  1.192903981829617E-004
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  4.792380695855427E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  1.284214201267760E-004
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  8.405966716216968E-005
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  6.973001218960369E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  1.173592601680881E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.325051067098858E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  5.430338566937232E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  2.319161137400518E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  2.012708715336345E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  5.009487070040270E-005
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  7.618360668301975E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.018142682940571E-004
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  5.315784834431792E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  5.942269092977889E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  3.268026139653192E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  8.712488932473502E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  5.134506660490264E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  1.547455077351093E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  1.631702155320034E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  6.323038720664364E-005
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  6.168586281807426E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  2.547109626077638E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  5.177885739991639E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  5.389647419205922E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  4.877717460155908E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  3.566253006075972E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  6.604471477792080E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  3.197443247389220E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  3.953611322679600E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.614896602027985E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  3.237156874931619E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  4.347016516649490E-005
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  1.280220698172848E-004
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  4.632037184943447E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  1.192903997803288E-004
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  4.792382078924472E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  1.284211763335394E-004
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  8.405958806621893E-005
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  6.973001718486587E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  1.173589869444509E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.325051054129345E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  5.430326309439319E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  2.319161269577884E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  2.012708727532463E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  5.009472946767139E-005
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  7.618344095445004E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.018142624741801E-004
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  5.315789451652806E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  5.942269440278708E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  3.268016303475287E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  8.712487444555212E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  5.134490166549655E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  1.547456816027089E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  1.631702118205454E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  6.323033684503295E-005
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  6.168591431263562E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  2.547109907805978E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  5.177875769737359E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  5.389646760255867E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  4.877726473696764E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  3.566252146043970E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  6.604484795269374E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  1.360311988807994E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.528294596105651E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.924099659523365E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.950290460933400E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.133054129985505E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.516283897108742E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  4.323584397781748E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.165093436796776E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  3.263765651701661E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  1.601849075583927E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.277651355263484E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.384079095881840E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  4.694909936525159E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.604308341307265E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.970759494202602E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.855704235575078E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  6.894946330277473E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  4.159520476785865E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  7.088657482767261E-012
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  8.884585328617260E-005
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.682075392247940E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  2.933587508968707E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.227021737575150E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  4.942913358639729E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  7.259988324096363E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  8.248581019934652E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.051026787219184E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  4.317778692507226E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.525891079569439E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  6.913885324838566E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.687511185797596E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.304526775215382E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  2.111495778229100E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.412338119701149E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  1.623159906438445E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.121608134062553E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  9.609721944285312E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.319504081414874E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.677351246794547E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  3.486907203420792E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  6.117841735735950E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  9.664434283451972E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.136522542115116E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.817865080043182E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  2.139749500564818E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  3.769779084997058E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.645002961612271E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.418757744404495E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  6.503037251458150E-005
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.680817547608723E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  2.382458950994071E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  4.170006129494268E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  9.737620125847753E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.700601211025381E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  3.707694802097925E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  2.090447840556109E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  8.914380010114518E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  8.917286496367828E-005
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  6.347681942421978E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  1.454778957677218E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.179024805776312E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  2.549110704643816E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  3.664831639668271E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.875922579733018E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  5.267823082652573E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  3.574324235973630E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.145921361750771E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  3.493847463831496E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  8.884739459151914E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  1.434236015959620E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  1.064564538003077E-004
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  1.863584924169199E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  8.264979030213511E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.116559239372462E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  5.062901855560449E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  6.070659693017201E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.677346070910052E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  3.486907738393935E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  6.117829159863434E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  9.664432054957638E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.136522494720219E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.817865260325774E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  2.139749415618210E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  3.769778850374109E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.645002978788497E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.418834415607960E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  6.503014589633624E-005
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.680817727113539E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  2.382458989590691E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  4.170001325349620E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  9.737619835802302E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.701637078744604E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  3.707695352152071E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  2.090447751255436E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  8.914378641408623E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  8.917286391052197E-005
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  6.347684146820264E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  1.454778917545239E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.179024179515571E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  2.549110633990208E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  3.664831898018773E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.875691633707048E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  5.267822177936476E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  3.574324203348120E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.146537995325836E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  3.493847318262540E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  8.884707655568831E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  1.434233482371878E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  1.064564544673340E-004
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  1.863584985704479E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  8.264979295629259E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.103432901241392E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  5.062902572309899E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  6.070633288574562E-005
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.58048660 p = -3227.94160493
                                d =  -843.55055291 f =   -23.21603134
       valence  contribution :  s =    -0.08244720 p =    -0.02292875
                                d =    -0.35768885 f =    -0.00229378
                                ns      0.00385808
     single particle energies  spin  up    
         core   contribution :  s = -6845.35183857 p = -3229.79110095
                                d =  -845.09138031 f =   -24.29629517
       valence  contribution :  s =    -0.11420668 p =    -0.03134906
                                d =    -0.89743554 f =    -0.00307979
                                ns      0.00667390
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21885.32018843
                                   band energy per atom :   -1.5008976637

     coulomb  contribution :   0  13880.06134620  1      0.00614901
                               2      0.00022748  3     -0.00125980
                               4      0.00162382  5     -0.00031283
                               6     -0.00003028
     --------------------------------------------------------------------
     tot. coulomb contribution :  13880.06774361

     ex.-cor. contribution :   0   -675.65995085  1      0.00911931
                               2      0.00235969  3     -0.00735362
                               4     -0.00750601  5      0.00234288
                               6      0.00005128
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -675.66093733

     eff. pot. contribution     : -26960.27981653
     total double counting contribution                 : -13755.87301026

   Total contribution of atom  1 =-35641.19319869
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07787925 p =    -0.09023699
                                d =    -0.03987153 f =    -0.01240908
                                ns      0.03743502
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09988954 p =    -0.11586631
                                d =    -0.05478628 f =    -0.01944435
                                ns      0.05191973
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42102857
                                   band energy per atom :   -0.4210285746

     coulomb  contribution :   0     -0.14048756  1      0.00513958
                               2      0.01248426  3      0.00177991
                               4     -0.00027176  5      0.00040150
                               6     -0.00000484
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12095892

     ex.-cor. contribution :   0     -0.69053613  1     -0.00068074
                               2      0.05255271  3      0.01010216
                               4      0.01935277  5      0.00397005
                               6      0.00048971
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60474946

     eff. pot. contribution     :     -0.46772403
     total double counting contribution                 :     -1.19343241

   Total contribution of atom  2 =    -1.61446098
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07779802 p =    -0.09013369
                                d =    -0.03983577 f =    -0.01239577
                                ns      0.03735620
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09979234 p =    -0.11572780
                                d =    -0.05472752 f =    -0.01942162
                                ns      0.05180935
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42066699
                                   band energy per atom :   -0.4206669878

     coulomb  contribution :   0     -0.14077487  1      0.00516895
                               2      0.01250055  3      0.00177306
                               4     -0.00026210  5      0.00040332
                               6     -0.00000458
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12119567

     ex.-cor. contribution :   0     -0.68987480  1     -0.00069593
                               2      0.05248541  3      0.01008661
                               4      0.01929064  5      0.00396336
                               6      0.00048745
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60425726

     eff. pot. contribution     :     -0.46745569
     total double counting contribution                 :     -1.19290862

   Total contribution of atom  3 =    -1.61357561
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07779802 p =    -0.09013370
                                d =    -0.03983577 f =    -0.01239577
                                ns      0.03735620
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09979234 p =    -0.11572780
                                d =    -0.05472752 f =    -0.01942162
                                ns      0.05180935
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42066699
                                   band energy per atom :   -0.4206669907

     coulomb  contribution :   0     -0.14077488  1      0.00516895
                               2      0.01250055  3      0.00177306
                               4     -0.00026210  5      0.00040332
                               6     -0.00000458
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12119568

     ex.-cor. contribution :   0     -0.68987480  1     -0.00069593
                               2      0.05248540  3      0.01008660
                               4      0.01929067  5      0.00396336
                               6      0.00048745
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60425724

     eff. pot. contribution     :     -0.46745569
     total double counting contribution                 :     -1.19290861

   Total contribution of atom  4 =    -1.61357560
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04729496 p =    -0.05779145
                                d =    -0.02659036 f =    -0.00841443
                                ns      0.00796920
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06104020 p =    -0.07224286
                                d =    -0.03406524 f =    -0.01150727
                                ns      0.01007555
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30090200
                                   band energy per atom :   -0.3009020050

     coulomb  contribution :   0     -0.09865751  1     -0.00156351
                               2     -0.00047012  3     -0.00003128
                               4      0.00078923  5      0.00019368
                               6      0.00022254
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09951698

     ex.-cor. contribution :   0     -0.41876411  1     -0.00012943
                               2     -0.00034422  3     -0.00001992
                               4      0.01727802  5      0.00001012
                               6      0.00111326
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40085629

     eff. pot. contribution     :     -0.44704732
     total double counting contribution                 :     -0.94742059

   Total contribution of atom  5 =    -1.24832259
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04729486 p =    -0.05780812
                                d =    -0.02659964 f =    -0.00841401
                                ns      0.00797042
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06103295 p =    -0.07225777
                                d =    -0.03407673 f =    -0.01150771
                                ns      0.01007666
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30094470
                                   band energy per atom :   -0.3009447036

     coulomb  contribution :   0     -0.09851528  1     -0.00156566
                               2     -0.00047114  3     -0.00003012
                               4      0.00078309  5      0.00019430
                               6      0.00022178
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09938304

     ex.-cor. contribution :   0     -0.41873378  1     -0.00013067
                               2     -0.00034019  3     -0.00002049
                               4      0.01728100  5      0.00001034
                               6      0.00110938
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40082441

     eff. pot. contribution     :     -0.44701073
     total double counting contribution                 :     -0.94721818

   Total contribution of atom  6 =    -1.24816288
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04729486 p =    -0.05780812
                                d =    -0.02659964 f =    -0.00841401
                                ns      0.00797042
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06103295 p =    -0.07225777
                                d =    -0.03407673 f =    -0.01150771
                                ns      0.01007666
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30094471
                                   band energy per atom :   -0.3009447051

     coulomb  contribution :   0     -0.09851528  1     -0.00156566
                               2     -0.00047114  3     -0.00003012
                               4      0.00078309  5      0.00019430
                               6      0.00022178
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09938304

     ex.-cor. contribution :   0     -0.41873378  1     -0.00013067
                               2     -0.00034019  3     -0.00002049
                               4      0.01728102  5      0.00001034
                               6      0.00110938
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40082439

     eff. pot. contribution     :     -0.44701073
     total double counting contribution                 :     -0.94721816

   Total contribution of atom  7 =    -1.24816287
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06975678 p =    -0.08164173
                                d =    -0.03347560 f =    -0.00877541
                                ns      0.01590086
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08935574 p =    -0.10457788
                                d =    -0.04577895 f =    -0.01328850
                                ns      0.02131253
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.40943721
                                   band energy per atom :   -0.4094372098

     coulomb  contribution :   0     -0.14951785  1     -0.00283501
                               2     -0.00354280  3      0.00372332
                               4      0.00146165  5      0.00028405
                               6      0.00022915
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15019749

     ex.-cor. contribution :   0     -0.60787875  1      0.00223461
                               2      0.00345391  3      0.00072896
                               4      0.02945917  5      0.00083913
                               6      0.00055471
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57060826

     eff. pot. contribution     :     -0.44855527
     total double counting contribution                 :     -1.16936102

   Total contribution of atom  8 =    -1.57879823
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.45514321 p = -1089.53015543
                                d =  -190.49399717
       valence  contribution :  s =    -0.44856432 p =    -0.16260263
                                d =    -0.01454035 f =    -0.00440451
                                ns     -0.00262951
     single particle energies  spin  up    
         core   contribution :  s = -2636.07081742 p = -1090.91565816
                                d =  -192.02990079
       valence  contribution :  s =    -0.55632729 p =    -0.23565265
                                d =    -0.02022633 f =    -0.00603930
                                ns     -0.00316684
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.94982592
                                   band energy per atom :   -1.4541537370

     coulomb  contribution :   0   5101.74741309  1     -0.00022959
                               2      0.00032993  3      0.00206933
                               4     -0.00865929  5     -0.00000253
                               6      0.00010813
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.74102908

     ex.-cor. contribution :   0   -329.17001019  1     -0.00003000
                               2     -0.00026400  3      0.00358079
                               4     -0.01870476  5      0.00003054
                               6      0.00035542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.18504220

     eff. pot. contribution     :  -9890.71951025
     total double counting contribution                 :  -5118.16352337

   Total contribution of atom  9 =-12954.11334928
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.45523528 p = -1089.53035792
                                d =  -190.49421172
       valence  contribution :  s =    -0.44850437 p =    -0.16253945
                                d =    -0.01454263 f =    -0.00440702
                                ns     -0.00263156
     single particle energies  spin  up    
         core   contribution :  s = -2636.07090944 p = -1090.91586054
                                d =  -192.03011520
       valence  contribution :  s =    -0.55626827 p =    -0.23555444
                                d =    -0.02022822 f =    -0.00604259
                                ns     -0.00317076
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.95057940
                                   band energy per atom :   -1.4538892928

     coulomb  contribution :   0   5101.72873928  1     -0.00023698
                               2      0.00032759  3      0.00207320
                               4     -0.00867010  5     -0.00000166
                               6      0.00010834
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.72233968

     ex.-cor. contribution :   0   -329.16948724  1     -0.00003112
                               2     -0.00026735  3      0.00357880
                               4     -0.01872319  5      0.00003127
                               6      0.00035582
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.18454301

     eff. pot. contribution     :  -9890.69961241
     total double counting contribution                 :  -5118.16181574

   Total contribution of atom 10 =-12954.11239514
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.45523528 p = -1089.53035792
                                d =  -190.49421173
       valence  contribution :  s =    -0.44850438 p =    -0.16253945
                                d =    -0.01454263 f =    -0.00440702
                                ns     -0.00263156
     single particle energies  spin  up    
         core   contribution :  s = -2636.07090945 p = -1090.91586054
                                d =  -192.03011521
       valence  contribution :  s =    -0.55626827 p =    -0.23555444
                                d =    -0.02022822 f =    -0.00604259
                                ns     -0.00317076
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7835.95057942
                                   band energy per atom :   -1.4538892948

     coulomb  contribution :   0   5101.72873928  1     -0.00023698
                               2      0.00032759  3      0.00207320
                               4     -0.00867010  5     -0.00000166
                               6      0.00010834
     --------------------------------------------------------------------
     tot. coulomb contribution :   5101.72233968

     ex.-cor. contribution :   0   -329.16948724  1     -0.00003112
                               2     -0.00026734  3      0.00357893
                               4     -0.01872316  5      0.00003127
                               6      0.00035582
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.18454284

     eff. pot. contribution     :  -9890.69961239
     total double counting contribution                 :  -5118.16181554

   Total contribution of atom 11 =-12954.11239496
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08426124 p =    -0.10433137
                                d =    -0.04805487 f =    -0.01428254
                                ns      0.04879993
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10385885 p =    -0.12514435
                                d =    -0.05875223 f =    -0.01858167
                                ns      0.06078352
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.44768367
                                   band energy per atom :   -0.4476836719

     coulomb  contribution :   0     -0.20608991  1     -0.00282750
                               2     -0.00425735  3      0.00173753
                               4      0.00415825  5      0.00085218
                               6      0.00001686
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.20640993

     ex.-cor. contribution :   0     -0.65648402  1     -0.00143280
                               2      0.05003324  3      0.00870060
                               4      0.01920732  5      0.00398061
                               6      0.00027566
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57571940

     eff. pot. contribution     :     -0.40663067
     total double counting contribution                 :     -1.18876000

   Total contribution of atom 12 =    -1.63644367
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64151088 p = -1150.94967319
                                d =  -209.39718594
       valence  contribution :  s =    -0.59489336 p =    -0.21318639
                                d =    -0.01361834 f =    -0.00361311
                                ns      0.00141794
     single particle energies  spin  up    
         core   contribution :  s = -2756.25757481 p = -1152.33618911
                                d =  -210.93493073
       valence  contribution :  s =    -0.70274581 p =    -0.32322501
                                d =    -0.01477658 f =    -0.00371312
                                ns      0.00131908
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.38409938
                                   band energy per atom :   -1.8670347120

     coulomb  contribution :   0   5301.63206849  1      0.00002023
                               2     -0.00119143  3     -0.00437769
                               4     -0.00606054  5      0.00067946
                               6      0.00000415
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.62114267

     ex.-cor. contribution :   0   -339.73869963  1      0.01207226
                               2     -0.00314784  3     -0.01500050
                               4     -0.01432668  5      0.00225833
                               6     -0.00001015
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75685422

     eff. pot. contribution     : -10304.77756784
     total double counting contribution                 :  -5342.91327939

   Total contribution of atom 13 =-13580.29737877
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64160966 p = -1150.94989503
                                d =  -209.39743098
       valence  contribution :  s =    -0.59488227 p =    -0.21319526
                                d =    -0.01361667 f =    -0.00361324
                                ns      0.00141604
     single particle energies  spin  up    
         core   contribution :  s = -2756.25767352 p = -1152.33641087
                                d =  -210.93517568
       valence  contribution :  s =    -0.70273476 p =    -0.32323200
                                d =    -0.01477476 f =    -0.00371315
                                ns      0.00131620
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.38522560
                                   band energy per atom :   -1.8670298667

     coulomb  contribution :   0   5301.63280175  1      0.00003300
                               2     -0.00119671  3     -0.00437190
                               4     -0.00606454  5      0.00068051
                               6      0.00000418
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.62188629

     ex.-cor. contribution :   0   -339.73869648  1      0.01207178
                               2     -0.00315880  3     -0.01494801
                               4     -0.01434095  5      0.00225966
                               6     -0.00001005
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75682283

     eff. pot. contribution     : -10304.77690738
     total double counting contribution                 :  -5342.91184392

   Total contribution of atom 14 =-13580.29706952
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64160962 p = -1150.94989503
                                d =  -209.39743098
       valence  contribution :  s =    -0.59488227 p =    -0.21319526
                                d =    -0.01361667 f =    -0.00361324
                                ns      0.00141604
     single particle energies  spin  up    
         core   contribution :  s = -2756.25767357 p = -1152.33641087
                                d =  -210.93517568
       valence  contribution :  s =    -0.70273476 p =    -0.32323200
                                d =    -0.01477476 f =    -0.00371315
                                ns      0.00131620
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.38522561
                                   band energy per atom :   -1.8670298675

     coulomb  contribution :   0   5301.63280186  1      0.00003300
                               2     -0.00119671  3     -0.00437190
                               4     -0.00606454  5      0.00068051
                               6      0.00000418
     --------------------------------------------------------------------
     tot. coulomb contribution :   5301.62188640

     ex.-cor. contribution :   0   -339.73869651  1      0.01207178
                               2     -0.00315885  3     -0.01495333
                               4     -0.01433691  5      0.00225966
                               6     -0.00001005
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.75682420

     eff. pot. contribution     : -10304.77690748
     total double counting contribution                 :  -5342.91184528

   Total contribution of atom 15 =-13580.29707089
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65551899 p = -1150.98243472
                                d =  -209.43595786
       valence  contribution :  s =    -0.60016752 p =    -0.21841510
                                d =    -0.01330296 f =    -0.00347215
                                ns      0.00007368
     single particle energies  spin  up    
         core   contribution :  s = -2756.27150037 p = -1152.36872554
                                d =  -210.97328528
       valence  contribution :  s =    -0.70747703 p =    -0.33005109
                                d =    -0.01485484 f =    -0.00379003
                                ns      0.00029021
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57858960
                                   band energy per atom :   -1.8911668426

     coulomb  contribution :   0   5303.71468695  1      0.00294117
                               2     -0.00153086  3     -0.00432647
                               4     -0.00626782  5      0.00068743
                               6     -0.00002114
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.70616927

     ex.-cor. contribution :   0   -339.79460315  1      0.01194692
                               2     -0.00381293  3     -0.01369973
                               4     -0.01397829  5      0.00204559
                               6     -0.00003605
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81213764

     eff. pot. contribution     : -10306.66511312
     total double counting contribution                 :  -5342.77108149

   Total contribution of atom 16 =-13580.34967110
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65541810 p = -1150.98220648
                                d =  -209.43570276
       valence  contribution :  s =    -0.60013523 p =    -0.21843141
                                d =    -0.01330223 f =    -0.00347166
                                ns      0.00007082
     single particle energies  spin  up    
         core   contribution :  s = -2756.27139937 p = -1152.36849706
                                d =  -210.97302971
       valence  contribution :  s =    -0.70743936 p =    -0.33006811
                                d =    -0.01485464 f =    -0.00378959
                                ns      0.00028707
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57738782
                                   band energy per atom :   -1.8911343373

     coulomb  contribution :   0   5303.70979871  1      0.00292667
                               2     -0.00152352  3     -0.00432909
                               4     -0.00626668  5      0.00068663
                               6     -0.00002104
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.70127167

     ex.-cor. contribution :   0   -339.79453404  1      0.01194494
                               2     -0.00379949  3     -0.01370041
                               4     -0.01398481  5      0.00204562
                               6     -0.00003593
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81206412

     eff. pot. contribution     : -10306.66178448
     total double counting contribution                 :  -5342.77257692

   Total contribution of atom 17 =-13580.34996475
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65541808 p = -1150.98220649
                                d =  -209.43570276
       valence  contribution :  s =    -0.60013523 p =    -0.21843141
                                d =    -0.01330223 f =    -0.00347166
                                ns      0.00007082
     single particle energies  spin  up    
         core   contribution :  s = -2756.27139940 p = -1152.36849706
                                d =  -210.97302971
       valence  contribution :  s =    -0.70743936 p =    -0.33006811
                                d =    -0.01485464 f =    -0.00378959
                                ns      0.00028707
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57738784
                                   band energy per atom :   -1.8911343392

     coulomb  contribution :   0   5303.70979883  1      0.00292667
                               2     -0.00152352  3     -0.00432909
                               4     -0.00626668  5      0.00068663
                               6     -0.00002104
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.70127180

     ex.-cor. contribution :   0   -339.79453401  1      0.01194494
                               2     -0.00379952  3     -0.01370450
                               4     -0.01398312  5      0.00204562
                               6     -0.00003593
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81206653

     eff. pot. contribution     : -10306.66178459
     total double counting contribution                 :  -5342.77257932

   Total contribution of atom 18 =-13580.34996716
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65551901 p = -1150.98243472
                                d =  -209.43595786
       valence  contribution :  s =    -0.60016752 p =    -0.21841510
                                d =    -0.01330296 f =    -0.00347215
                                ns      0.00007368
     single particle energies  spin  up    
         core   contribution :  s = -2756.27150037 p = -1152.36872554
                                d =  -210.97328528
       valence  contribution :  s =    -0.70747703 p =    -0.33005109
                                d =    -0.01485484 f =    -0.00379003
                                ns      0.00029021
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57858962
                                   band energy per atom :   -1.8911668443

     coulomb  contribution :   0   5303.71468729  1      0.00294117
                               2     -0.00153086  3     -0.00432647
                               4     -0.00626782  5      0.00068743
                               6     -0.00002114
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.70616961

     ex.-cor. contribution :   0   -339.79460318  1      0.01194692
                               2     -0.00381290  3     -0.01369382
                               4     -0.01398353  5      0.00204559
                               6     -0.00003605
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81213698

     eff. pot. contribution     : -10306.66511346
     total double counting contribution                 :  -5342.77108083

   Total contribution of atom 19 =-13580.34967045
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65549965 p = -1150.98239119
                                d =  -209.43590967
       valence  contribution :  s =    -0.60015663 p =    -0.21848261
                                d =    -0.01330043 f =    -0.00347104
                                ns      0.00007512
     single particle energies  spin  up    
         core   contribution :  s = -2756.27148112 p = -1152.36868225
                                d =  -210.97323755
       valence  contribution :  s =    -0.70746307 p =    -0.33012247
                                d =    -0.01485222 f =    -0.00378871
                                ns      0.00029073
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57847276
                                   band energy per atom :   -1.8912713325

     coulomb  contribution :   0   5303.71666302  1      0.00292031
                               2     -0.00151892  3     -0.00432343
                               4     -0.00627107  5      0.00068696
                               6     -0.00002097
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.70813589

     ex.-cor. contribution :   0   -339.79472838  1      0.01194133
                               2     -0.00379352  3     -0.01368402
                               4     -0.01399736  5      0.00204609
                               6     -0.00003589
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81225175

     eff. pot. contribution     : -10306.66739728
     total double counting contribution                 :  -5342.77151314

   Total contribution of atom 20 =-13580.34998590
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65549964 p = -1150.98239119
                                d =  -209.43590968
       valence  contribution :  s =    -0.60015663 p =    -0.21848261
                                d =    -0.01330043 f =    -0.00347104
                                ns      0.00007512
     single particle energies  spin  up    
         core   contribution :  s = -2756.27148113 p = -1152.36868225
                                d =  -210.97323755
       valence  contribution :  s =    -0.70746307 p =    -0.33012247
                                d =    -0.01485222 f =    -0.00378871
                                ns      0.00029073
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57847277
                                   band energy per atom :   -1.8912713328

     coulomb  contribution :   0   5303.71666279  1      0.00292031
                               2     -0.00151892  3     -0.00432343
                               4     -0.00627107  5      0.00068696
                               6     -0.00002097
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.70813566

     ex.-cor. contribution :   0   -339.79472838  1      0.01194133
                               2     -0.00379347  3     -0.01368975
                               4     -0.01399301  5      0.00204609
                               6     -0.00003589
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.81225309

     eff. pot. contribution     : -10306.66739703
     total double counting contribution                 :  -5342.77151446

   Total contribution of atom 21 =-13580.34998722
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.61212451 p = -1150.88143736
                                d =  -209.31210452
       valence  contribution :  s =    -0.58321431 p =    -0.19973481
                                d =    -0.01157011 f =    -0.00312496
                                ns     -0.00899475
     single particle energies  spin  up    
         core   contribution :  s = -2756.22813204 p = -1152.26783947
                                d =  -210.85078975
       valence  contribution :  s =    -0.69478586 p =    -0.31635979
                                d =    -0.01311744 f =    -0.00346937
                                ns     -0.00969556
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99649462
                                   band energy per atom :   -1.8440669614

     coulomb  contribution :   0   5315.46711210  1      0.00000353
                               2     -0.00367109  3     -0.00001430
                               4     -0.00750836  5      0.00000126
                               6      0.00002287
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.45594603

     ex.-cor. contribution :   0   -339.82152785  1     -0.00003960
                               2     -0.00952796  3     -0.00076919
                               4     -0.03941079  5     -0.00000038
                               6      0.00015955
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87111622

     eff. pot. contribution     : -10319.08979073
     total double counting contribution                 :  -5343.50496092

   Total contribution of atom 22 =-13580.50145554
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.61209001 p = -1150.88136096
                                d =  -209.31202218
       valence  contribution :  s =    -0.58320814 p =    -0.19972924
                                d =    -0.01156942 f =    -0.00312437
                                ns     -0.00899586
     single particle energies  spin  up    
         core   contribution :  s = -2756.22809746 p = -1152.26776264
                                d =  -210.85070662
       valence  contribution :  s =    -0.69477939 p =    -0.31634786
                                d =    -0.01311785 f =    -0.00346929
                                ns     -0.00969591
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99607719
                                   band energy per atom :   -1.8440373195

     coulomb  contribution :   0   5315.47043632  1      0.00000350
                               2     -0.00366541  3     -0.00001445
                               4     -0.00750771  5      0.00000124
                               6      0.00002286
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.45927635

     ex.-cor. contribution :   0   -339.82161770  1     -0.00003964
                               2     -0.00952703  3     -0.00073715
                               4     -0.03937740  5     -0.00000038
                               6      0.00015960
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87113970

     eff. pot. contribution     : -10319.09360926
     total double counting contribution                 :  -5343.50547261

   Total contribution of atom 23 =-13580.50154980
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.61209008 p = -1150.88136096
                                d =  -209.31202218
       valence  contribution :  s =    -0.58320814 p =    -0.19972924
                                d =    -0.01156942 f =    -0.00312437
                                ns     -0.00899586
     single particle energies  spin  up    
         core   contribution :  s = -2756.22809737 p = -1152.26776264
                                d =  -210.85070662
       valence  contribution :  s =    -0.69477939 p =    -0.31634786
                                d =    -0.01311785 f =    -0.00346929
                                ns     -0.00969591
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8236.99607717
                                   band energy per atom :   -1.8440373199

     coulomb  contribution :   0   5315.47043617  1      0.00000350
                               2     -0.00366541  3     -0.00001445
                               4     -0.00750771  5      0.00000124
                               6      0.00002286
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.45927620

     ex.-cor. contribution :   0   -339.82161764  1     -0.00003964
                               2     -0.00952742  3     -0.00073291
                               4     -0.03939668  5     -0.00000038
                               6      0.00015960
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87115508

     eff. pot. contribution     : -10319.09360911
     total double counting contribution                 :  -5343.50548799

   Total contribution of atom 24 =-13580.50156517
                                   sum of band energies :  -31.3654859124
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.82817678
                                eV  : -3231103.04620766
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:06:32:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           10
25.03.2020 20:06:32:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   1.729709296597486E-010  4.629525933118040E-006
  0.699422031556328     
 magnetic moment2 is   1.729713251394317E-010  4.629525932153404E-006
 -0.232700445258079     
 magnetic moment is   5.810489632843141E-011 -1.169390810842441E-003
  5.453298913129689E-002
 magnetic moment2 is   5.810489632843141E-011 -1.169390810842441E-003
 -1.958454340448512E-002
 magnetic moment is  -1.010382303409378E-003  5.895549995260838E-004
  5.454620725712545E-002
 magnetic moment2 is  -1.010382303409378E-003  5.895549995260838E-004
 -1.958361588532684E-002
 magnetic moment is   1.010382206659178E-003  5.895548377409438E-004
  5.454620749403327E-002
 magnetic moment2 is   1.010382206659178E-003  5.895548377409438E-004
 -1.958361599635652E-002
 magnetic moment is  -1.395723066201920E-011 -2.211636386570060E-004
  5.836206700446317E-002
 magnetic moment2 is  -1.395723066201920E-011 -2.211636386570060E-004
 -2.420973011568105E-002
 magnetic moment is  -1.856229519863651E-004  1.050266204239402E-004
  5.830874968088262E-002
 magnetic moment2 is  -1.856229519863651E-004  1.050266204239402E-004
 -2.425553341134118E-002
 magnetic moment is   1.856232023133050E-004  1.050267777416486E-004
  5.830875108643246E-002
 magnetic moment2 is   1.856232023133050E-004  1.050267777416486E-004
 -2.425553227460413E-002
 magnetic moment is  -5.477501689910196E-011 -1.610529595807276E-006
  5.799859155575948E-002
 magnetic moment2 is  -5.477501689910196E-011 -1.610529595807276E-006
 -2.511504742523185E-002
 magnetic moment is  -2.917146871284082E-010 -3.306321058738623E-003
  0.200089343751364     
 magnetic moment2 is  -2.917313654104275E-010 -3.311990828426425E-003
 -0.133358470726959     
 magnetic moment is  -2.867070218104932E-003  1.650456476209240E-003
  0.200028058985531     
 magnetic moment2 is  -2.871981695898993E-003  1.653288007774522E-003
 -0.133422636066130     
 magnetic moment is   2.867070406923701E-003  1.650456595653071E-003
  0.200028062069367     
 magnetic moment2 is   2.871981884959876E-003  1.653288127067028E-003
 -0.133422633231289     
 magnetic moment is   2.813267856654556E-011  1.883387642656698E-007
  6.657086242243782E-002
 magnetic moment2 is   2.813267856654556E-011  1.883387642656698E-007
 -1.411102976425473E-002
 magnetic moment is   1.321182030965262E-010  9.095191215599327E-004
  0.339721439908075     
 magnetic moment2 is   1.321168057767663E-010  9.108236156545179E-004
  2.562069852535115E-002
 magnetic moment is   7.876612661448335E-004 -4.569078521095033E-004
  0.339687468473546     
 magnetic moment2 is   7.888022034374278E-004 -4.575703237655417E-004
  2.558938781556983E-002
 magnetic moment is  -7.876611637868861E-004 -4.569079003137968E-004
  0.339687467822506     
 magnetic moment2 is  -7.888021012742854E-004 -4.575703719531221E-004
  2.558938718232603E-002
 magnetic moment is  -9.378642213989292E-005  1.035649107951958E-003
  0.309355633768605     
 magnetic moment2 is  -9.376924372635036E-005  1.035588030923061E-003
 -2.762926035951851E-003
 magnetic moment is   8.531032749239155E-004 -5.983926192064011E-004
  0.309277793313368     
 magnetic moment2 is   8.530600976753054E-004 -5.983451419472311E-004
 -2.842751307488206E-003
 magnetic moment is  -8.531031489779376E-004 -5.983923522834706E-004
  0.309277794343407     
 magnetic moment2 is  -8.530599717563652E-004 -5.983448750262562E-004
 -2.842750275659778E-003
 magnetic moment is   9.378683357194498E-005  1.035649254638680E-003
  0.309355628869357     
 magnetic moment2 is   9.376965512374351E-005  1.035588177623773E-003
 -2.762930827083274E-003
 magnetic moment is   9.406126979437147E-004 -4.346633717936985E-004
  0.309363280434730     
 magnetic moment2 is   9.405472515777873E-004 -4.346562979457933E-004
 -2.756573366361079E-003
 magnetic moment is  -9.406121736104128E-004 -4.346636583703366E-004
  0.309363286381631     
 magnetic moment2 is  -9.405467272640394E-004 -4.346565845243467E-004
 -2.756567527437012E-003
 magnetic moment is  -2.703374142381740E-010  2.793450954322446E-005
  0.323827387049303     
 magnetic moment2 is  -2.703855452252171E-010  2.772264707643503E-005
 -1.073742727751788E-002
 magnetic moment is   2.992102055969148E-005 -1.071886859543234E-005
  0.323746503376853     
 magnetic moment2 is   2.992471084188402E-005 -1.072097267487324E-005
 -1.081740396962869E-002
 magnetic moment is  -2.992108888537606E-005 -1.071864152766937E-005
  0.323746509893898     
 magnetic moment2 is  -2.992477916862398E-005 -1.072074560688421E-005
 -1.081739752064984E-002
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.36650330  0.40615258    0.0396
          p =  0.09797959  0.12617294    0.0282
          d =  3.60832708  4.23659971    0.6283
          f =  0.00893527  0.01001168    0.0011
          ns  -0.02113915 -0.01890879    0.0022
          ------------------------------------
          TOT  4.06060608  4.76002812    0.6994
                           8.82063420
   ========================== 
      2   s =  0.23691290  0.26054256    0.0236
          p =  0.30907556  0.33276494    0.0237
          d =  0.16338483  0.17792509    0.0145
          f =  0.05973454  0.06962807    0.0099
          ns  -0.11626827 -0.13348812   -0.0172
          ------------------------------------
          TOT  0.65283955  0.70737254    0.0545
                           1.36021210
   ========================== 
      3   s =  0.23678373  0.26045118    0.0237
          p =  0.30877257  0.33247902    0.0237
          d =  0.16321631  0.17772324    0.0145
          f =  0.05967793  0.06954852    0.0099
          ns  -0.11602200 -0.13322722   -0.0172
          ------------------------------------
          TOT  0.65242854  0.70697475    0.0545
                           1.35940328
   ========================== 
      4   s =  0.23678373  0.26045118    0.0237
          p =  0.30877257  0.33247902    0.0237
          d =  0.16321631  0.17772324    0.0145
          f =  0.05967793  0.06954852    0.0099
          ns  -0.11602200 -0.13322722   -0.0172
          ------------------------------------
          TOT  0.65242854  0.70697474    0.0545
                           1.35940328
   ========================== 
      5   s =  0.15479119  0.17819134    0.0234
          p =  0.20519306  0.22687849    0.0217
          d =  0.10575803  0.11743499    0.0117
          f =  0.03608968  0.04162688    0.0055
          ns  -0.02348232 -0.02742001   -0.0039
          ------------------------------------
          TOT  0.47834963  0.53671169    0.0584
                           1.01506132
   ========================== 
      6   s =  0.15472851  0.17810812    0.0234
          p =  0.20519162  0.22684795    0.0217
          d =  0.10579908  0.11746683    0.0117
          f =  0.03609978  0.04163880    0.0055
          ns  -0.02348289 -0.02741685   -0.0039
          ------------------------------------
          TOT  0.47833611  0.53664486    0.0583
                           1.01498097
   ========================== 
      7   s =  0.15472851  0.17810812    0.0234
          p =  0.20519162  0.22684795    0.0217
          d =  0.10579908  0.11746683    0.0117
          f =  0.03609978  0.04163880    0.0055
          ns  -0.02348289 -0.02741685   -0.0039
          ------------------------------------
          TOT  0.47833611  0.53664486    0.0583
                           1.01498097
   ========================== 
      8   s =  0.20621541  0.22959945    0.0234
          p =  0.27979262  0.30206778    0.0223
          d =  0.14030631  0.15543848    0.0151
          f =  0.03866347  0.04753012    0.0089
          ns  -0.04041539 -0.05207483   -0.0117
          ------------------------------------
          TOT  0.62456242  0.68256101    0.0580
                           1.30712343
   ========================== 
      9   s =  0.79350608  0.85415031    0.0606
          p =  0.77082727  0.90264250    0.1318
          d =  0.08551701  0.09088147    0.0054
          f =  0.02054000  0.02218059    0.0016
          ns   0.01035831  0.01098314    0.0006
          ------------------------------------
          TOT  1.68074868  1.88083802    0.2001
                           3.56158669
   ========================== 
     10   s =  0.79353943  0.85416510    0.0606
          p =  0.77051684  0.90227994    0.1318
          d =  0.08551576  0.09088699    0.0054
          f =  0.02055003  0.02219094    0.0016
          ns   0.01037581  0.01100297    0.0006
          ------------------------------------
          TOT  1.68049788  1.88052594    0.2000
                           3.56102381
   ========================== 
     11   s =  0.79353943  0.85416510    0.0606
          p =  0.77051684  0.90227994    0.1318
          d =  0.08551576  0.09088699    0.0054
          f =  0.02055003  0.02219094    0.0016
          ns   0.01037581  0.01100297    0.0006
          ------------------------------------
          TOT  1.68049788  1.88052594    0.2000
                           3.56102382
   ========================== 
     12   s =  0.22672571  0.25507375    0.0283
          p =  0.30256199  0.33209445    0.0295
          d =  0.15539194  0.17402835    0.0186
          f =  0.04966206  0.05904822    0.0094
          ns  -0.10970678 -0.12903898   -0.0193
          ------------------------------------
          TOT  0.62463492  0.69120578    0.0666
                           1.31584070
   ========================== 
     13   s =  0.84195334  0.86576484    0.0238
          p =  1.18502770  1.50161496    0.3166
          d =  0.05014411  0.05108922    0.0009
          f =  0.01188975  0.01202199    0.0001
          ns   0.00251269  0.00075803   -0.0018
          ------------------------------------
          TOT  2.09152760  2.43124904    0.3397
                           4.52277664
   ========================== 
     14   s =  0.84193433  0.86575581    0.0238
          p =  1.18505128  1.50159563    0.3165
          d =  0.05014652  0.05109134    0.0009
          f =  0.01189120  0.01202231    0.0001
          ns   0.00252406  0.00076976   -0.0018
          ------------------------------------
          TOT  2.09154739  2.43123486    0.3397
                           4.52278225
   ========================== 
     15   s =  0.84193433  0.86575581    0.0238
          p =  1.18505128  1.50159563    0.3165
          d =  0.05014652  0.05109134    0.0009
          f =  0.01189120  0.01202231    0.0001
          ns   0.00252406  0.00076976   -0.0018
          ------------------------------------
          TOT  2.09154739  2.43123486    0.3397
                           4.52278226
   ========================== 
     16   s =  0.84336780  0.86680874    0.0234
          p =  1.22073088  1.50579168    0.2851
          d =  0.04979186  0.05167942    0.0019
          f =  0.01165286  0.01220216    0.0005
          ns   0.00424726  0.00266429   -0.0016
          ------------------------------------
          TOT  2.12979066  2.43914629    0.3094
                           4.56893695
   ========================== 
     17   s =  0.84333586  0.86677947    0.0234
          p =  1.22078709  1.50576362    0.2850
          d =  0.04979493  0.05168438    0.0019
          f =  0.01164984  0.01219995    0.0006
          ns   0.00425572  0.00267382   -0.0016
          ------------------------------------
          TOT  2.12982344  2.43910123    0.3093
                           4.56892468
   ========================== 
     18   s =  0.84333586  0.86677947    0.0234
          p =  1.22078709  1.50576362    0.2850
          d =  0.04979493  0.05168438    0.0019
          f =  0.01164984  0.01219995    0.0006
          ns   0.00425572  0.00267382   -0.0016
          ------------------------------------
          TOT  2.12982344  2.43910124    0.3093
                           4.56892468
   ========================== 
     19   s =  0.84336780  0.86680874    0.0234
          p =  1.22073089  1.50579168    0.2851
          d =  0.04979186  0.05167942    0.0019
          f =  0.01165286  0.01220216    0.0005
          ns   0.00424726  0.00266429   -0.0016
          ------------------------------------
          TOT  2.12979067  2.43914629    0.3094
                           4.56893696
   ========================== 
     20   s =  0.84332872  0.86678071    0.0235
          p =  1.22084963  1.50590156    0.2851
          d =  0.04979731  0.05168933    0.0019
          f =  0.01165209  0.01220023    0.0005
          ns   0.00424814  0.00266732   -0.0016
          ------------------------------------
          TOT  2.12987587  2.43923915    0.3094
                           4.56911502
   ========================== 
     21   s =  0.84332872  0.86678071    0.0235
          p =  1.22084962  1.50590156    0.2851
          d =  0.04979731  0.05168933    0.0019
          f =  0.01165209  0.01220023    0.0005
          ns   0.00424813  0.00266732   -0.0016
          ------------------------------------
          TOT  2.12987587  2.43923915    0.3094
                           4.56911502
   ========================== 
     22   s =  0.83361683  0.86060032    0.0270
          p =  1.24791008  1.54409292    0.2962
          d =  0.04728782  0.05041504    0.0031
          f =  0.01199945  0.01239277    0.0004
          ns   0.02432520  0.02146571   -0.0029
          ------------------------------------
          TOT  2.16513938  2.48896677    0.3238
                           4.65410615
   ========================== 
     23   s =  0.83362118  0.86060402    0.0270
          p =  1.24798391  1.54408595    0.2961
          d =  0.04728918  0.05041629    0.0031
          f =  0.01199829  0.01239470    0.0004
          ns   0.02432837  0.02146649   -0.0029
          ------------------------------------
          TOT  2.16522093  2.48896743    0.3237
                           4.65418836
   ========================== 
     24   s =  0.83362118  0.86060402    0.0270
          p =  1.24798390  1.54408595    0.2961
          d =  0.04728918  0.05041629    0.0031
          f =  0.01199829  0.01239470    0.0004
          ns   0.02432837  0.02146649   -0.0029
          ------------------------------------
          TOT  2.16522093  2.48896744    0.3237
                           4.65418836
 
############################################
 
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.820632
       spin moment in wigner seitz cell =    0.699422
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -0.179368
                              spin magnetic moment =     0.699422
 
  Atom    2 charge in wigner seitz cell =    1.360210
       spin moment in wigner seitz cell =    0.054533
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.360210
                              spin magnetic moment =     0.054533
 
  Atom    3 charge in wigner seitz cell =    1.359401
       spin moment in wigner seitz cell =    0.054546
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.359401
                              spin magnetic moment =     0.054546
 
  Atom    4 charge in wigner seitz cell =    1.359401
       spin moment in wigner seitz cell =    0.054546
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.359401
                              spin magnetic moment =     0.054546
 
  Atom    5 charge in wigner seitz cell =    1.015061
       spin moment in wigner seitz cell =    0.058362
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.015061
                              spin magnetic moment =     0.058362
 
  Atom    6 charge in wigner seitz cell =    1.014980
       spin moment in wigner seitz cell =    0.058309
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.014980
                              spin magnetic moment =     0.058309
 
  Atom    7 charge in wigner seitz cell =    1.014980
       spin moment in wigner seitz cell =    0.058309
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.014980
                              spin magnetic moment =     0.058309
 
  Atom    8 charge in wigner seitz cell =    1.307120
       spin moment in wigner seitz cell =    0.057998
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.307120
                              spin magnetic moment =     0.057998
 
  Atom    9 charge in wigner seitz cell =   49.561584
       spin moment in wigner seitz cell =    0.200089
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.438416
                              spin magnetic moment =     0.200089
 
  Atom   10 charge in wigner seitz cell =   49.561021
       spin moment in wigner seitz cell =    0.200028
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.438979
                              spin magnetic moment =     0.200028
 
  Atom   11 charge in wigner seitz cell =   49.561021
       spin moment in wigner seitz cell =    0.200028
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.438979
                              spin magnetic moment =     0.200028
 
  Atom   12 charge in wigner seitz cell =    1.315838
       spin moment in wigner seitz cell =    0.066571
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =     1.315838
                              spin magnetic moment =     0.066571
 
  Atom   13 charge in wigner seitz cell =   50.522774
       spin moment in wigner seitz cell =    0.339721
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.477226
                              spin magnetic moment =     0.339721
 
  Atom   14 charge in wigner seitz cell =   50.522780
       spin moment in wigner seitz cell =    0.339687
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.477220
                              spin magnetic moment =     0.339687
 
  Atom   15 charge in wigner seitz cell =   50.522780
       spin moment in wigner seitz cell =    0.339687
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.477220
                              spin magnetic moment =     0.339687
 
  Atom   16 charge in wigner seitz cell =   50.568934
       spin moment in wigner seitz cell =    0.309356
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.431066
                              spin magnetic moment =     0.309356
 
  Atom   17 charge in wigner seitz cell =   50.568922
       spin moment in wigner seitz cell =    0.309278
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.431078
                              spin magnetic moment =     0.309278
 
  Atom   18 charge in wigner seitz cell =   50.568922
       spin moment in wigner seitz cell =    0.309278
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.431078
                              spin magnetic moment =     0.309278
 
  Atom   19 charge in wigner seitz cell =   50.568934
       spin moment in wigner seitz cell =    0.309356
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.431066
                              spin magnetic moment =     0.309356
 
  Atom   20 charge in wigner seitz cell =   50.569113
       spin moment in wigner seitz cell =    0.309363
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.430887
                              spin magnetic moment =     0.309363
 
  Atom   21 charge in wigner seitz cell =   50.569113
       spin moment in wigner seitz cell =    0.309363
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.430887
                              spin magnetic moment =     0.309363
 
  Atom   22 charge in wigner seitz cell =   50.654104
       spin moment in wigner seitz cell =    0.323827
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.345896
                              spin magnetic moment =     0.323827
 
  Atom   23 charge in wigner seitz cell =   50.654187
       spin moment in wigner seitz cell =    0.323747
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.345813
                              spin magnetic moment =     0.323747
 
  Atom   24 charge in wigner seitz cell =   50.654187
       spin moment in wigner seitz cell =    0.323747
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  10 charge neutrality in unit cell =    -1.345813
                              spin magnetic moment =     0.323747
 
                    TOTAL mag. moment in unit cell =     5.609151
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:10:06:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:06:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  2.8661D-01  ,  v+ - v- =  3.8853D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.6110D-01  ,  v+ - v- =  3.7855D-03
      rms-error for atom  2 :v+ + v- =  7.1881D-02  ,  v+ - v- =  4.3289D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  6.1741D-02  ,  v+ - v- =  1.6237D-03
      rms-error for atom  3 :v+ + v- =  7.2184D-02  ,  v+ - v- =  4.3286D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  6.2226D-02  ,  v+ - v- =  1.6280D-03
      rms-error for atom  4 :v+ + v- =  7.2184D-02  ,  v+ - v- =  4.3286D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  6.2226D-02  ,  v+ - v- =  1.6280D-03
      rms-error for atom  5 :v+ + v- =  1.0176D-01  ,  v+ - v- =  5.0965D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  4.5988D-02  ,  v+ - v- =  9.8497D-04
      rms-error for atom  6 :v+ + v- =  1.0157D-01  ,  v+ - v- =  5.0968D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  4.6291D-02  ,  v+ - v- =  9.8580D-04
      rms-error for atom  7 :v+ + v- =  1.0157D-01  ,  v+ - v- =  5.0968D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  4.6291D-02  ,  v+ - v- =  9.8580D-04
      rms-error for atom  8 :v+ + v- =  9.5478D-02  ,  v+ - v- =  4.7254D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  5.1808D-02  ,  v+ - v- =  1.6987D-03
      rms-error for atom  9 :v+ + v- =  1.1318D-01  ,  v+ - v- =  5.0493D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  4.7861D-02  ,  v+ - v- =  1.0334D-03
      rms-error for atom 10 :v+ + v- =  1.1329D-01  ,  v+ - v- =  5.0494D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  4.7987D-02  ,  v+ - v- =  1.0324D-03
      rms-error for atom 11 :v+ + v- =  1.1329D-01  ,  v+ - v- =  5.0494D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  4.7987D-02  ,  v+ - v- =  1.0324D-03
      rms-error for atom 12 :v+ + v- =  1.1762D-01  ,  v+ - v- =  4.2670D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  3.7032D-02  ,  v+ - v- =  1.5000D-03
      rms-error for atom 13 :v+ + v- =  1.2801D-01  ,  v+ - v- =  4.1017D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  3.9293D-02  ,  v+ - v- =  1.1628D-03
      rms-error for atom 14 :v+ + v- =  1.2812D-01  ,  v+ - v- =  4.1017D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  3.9444D-02  ,  v+ - v- =  1.1636D-03
      rms-error for atom 15 :v+ + v- =  1.2812D-01  ,  v+ - v- =  4.1017D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  3.9444D-02  ,  v+ - v- =  1.1636D-03
      rms-error for atom 16 :v+ + v- =  1.1690D-01  ,  v+ - v- =  4.1394D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  3.8336D-02  ,  v+ - v- =  1.1947D-03
      rms-error for atom 17 :v+ + v- =  1.1676D-01  ,  v+ - v- =  4.1395D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  3.8319D-02  ,  v+ - v- =  1.1840D-03
      rms-error for atom 18 :v+ + v- =  1.1676D-01  ,  v+ - v- =  4.1395D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  3.8319D-02  ,  v+ - v- =  1.1840D-03
      rms-error for atom 19 :v+ + v- =  1.1690D-01  ,  v+ - v- =  4.1394D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  3.8336D-02  ,  v+ - v- =  1.1947D-03
      rms-error for atom 20 :v+ + v- =  1.1686D-01  ,  v+ - v- =  4.1394D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  3.8313D-02  ,  v+ - v- =  1.2029D-03
      rms-error for atom 21 :v+ + v- =  1.1686D-01  ,  v+ - v- =  4.1394D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  3.8313D-02  ,  v+ - v- =  1.2029D-03
      rms-error for atom 22 :v+ + v- =  1.2348D-01  ,  v+ - v- =  4.5077D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  3.8830D-02  ,  v+ - v- =  8.7170D-04
      rms-error for atom 23 :v+ + v- =  1.2342D-01  ,  v+ - v- =  4.5078D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  3.8857D-02  ,  v+ - v- =  8.7152D-04
      rms-error for atom 24 :v+ + v- =  1.2342D-01  ,  v+ - v- =  4.5078D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  3.8857D-02  ,  v+ - v- =  8.7152D-04
      ITERATION  10 average rms-error : v+ + v- =  1.3538D-01
                                        v+ - v- =  4.4767D-02
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.446227828306336E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.676239362313134E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.366636293715425E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  3.056777625328295E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.590539801062017E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.292516140160647E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.092987987376897E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.368347043337949E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  8.922462299716617E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.338898338251993E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.552528731474260E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.627075257906699E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.617723059883965E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.451884839723479E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.960403363203203E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  5.033126803552813E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.525063585450941E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.286295208362883E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.558398411605510E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.406052446351306E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.369538606131334E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.020115744764800E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.565486900391526E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.071672469353957E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.050346506112270E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.788609871212960E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.286170812311066E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.156228143641805E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  9.094128736682902E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.583321123815708E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.360126903491450E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.275724824766089E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.204342770746291E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  9.027947387329962E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.046939931095097E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  7.678814718224262E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.909327386970059E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.846197766671426E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  4.935490046184618E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.575773181571099E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  6.827768069936183E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.909818728092466E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.049832426955384E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.410660793254588E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.223982016606695E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.979576019759153E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.771756765374105E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.119996845955297E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  6.491890988516060E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  8.220451669503628E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.776907041029603E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.684507555620837E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.048610175009540E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.097218694449027E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  1.238074213294164E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.077462619368986E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.031182693983213E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.077984084037892E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  6.603769160681400E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.582499098532736E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.463870661459120E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  1.116568517666215E-003
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.740095353501514E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  7.335966321884701E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  1.271142305704240E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  7.636667309392629E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  1.123810079750144E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  4.115837914020716E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  7.133334396267654E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  9.003954037393688E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  3.365459274004533E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  6.307134757364197E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  6.197356082725795E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  5.731074064266516E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  7.347572632826032E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  3.295884172657844E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  3.947053733671688E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  6.426378340207670E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  1.072212003969869E-003
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  1.116568428920895E-003
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  2.739711124096713E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  7.335966072027506E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  1.271142405080831E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  7.630523964707946E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  1.123810032252397E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  4.115837743978606E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  7.133334202400337E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  9.003953640962056E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  3.365994947726577E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  6.306001458748195E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  6.197355971695220E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  5.731074079274102E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  7.347572296206257E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  3.295884055931639E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  3.946828679157916E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  6.426378019795301E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  1.072212099774127E-003
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  9.971594666979442E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  3.397507009851838E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.008903799597524E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  1.342494133478954E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  6.172692245420094E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  1.455473818218601E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  1.285935050375312E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  8.076823295324544E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.314422741367026E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  1.007097459018850E-010
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  1.204373767013689E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.446641614251360E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  7.638491830723067E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.080641380813860E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  1.100394561551124E-003
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.790092416117137E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  1.011061354872472E-003
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  4.305894107525659E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  3.187441612772398E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.506206081559050E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.872740993759601E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  1.196664878954763E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.236125073337194E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.300539207103819E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  8.075095551736381E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  4.030428276909639E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  6.599870194541821E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  1.229537121216750E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.787128543681348E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  1.072962854023513E-003
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.677059625503761E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  1.342311931821392E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  4.651521139054015E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  1.457390452905087E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  1.061325193673380E-003
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  5.708205787134055E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  9.513845256351015E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  6.598735181460865E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  6.016488874444006E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  1.041370662065257E-003
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  3.812628771945699E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.327332371064768E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  5.493282793503959E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  5.425638848701974E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  1.011746329046495E-003
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  3.189379774610623E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  4.562656019281583E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.286830420286346E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.054742376109256E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  7.694953070116186E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  9.291693146594449E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  1.062982120553528E-003
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  2.012596834914389E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  3.500650500613925E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  6.144000098921361E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.427324713987842E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  5.363528506883201E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  1.332857876675213E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  1.342311883189825E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  4.651520846038991E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  1.457390403557797E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  1.061325166533592E-003
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  5.708165012417704E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  9.513846499065522E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  6.598735788668562E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  6.016488722376821E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  1.041370808525757E-003
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  3.812628742457077E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.328039522878223E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  5.493282708730724E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  5.425638600488734E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  1.011746298297075E-003
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  3.189379592003508E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  4.562655750224313E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.286820802833000E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.056062922281555E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  7.694952935479040E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  9.291695545216835E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  1.062982175239906E-003
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  2.012596705103194E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  3.500652020426865E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  6.143999967493105E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.427229653878275E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  5.363528345967415E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  1.332858139385488E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.189681841576928E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.433584311563668E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.461406173544605E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  6.724677852716702E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.588200890870163E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.467664726756446E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.037742684959856E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.763430268286058E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.150557886847210E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.252892535935984E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.154401194850923E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.568389960039595E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.685194079387486E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  8.353451064107856E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.901052335304020E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.808444421164073E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.731181961952781E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.724861417620633E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.993206636369225E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.259839255474673E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.492403879035580E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.412109485912623E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.335234298997763E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.218999049386106E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.266641116169290E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.675869839471633E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.239455997541883E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164131588740108E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.108395043303259E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  9.912649766740836E-011
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.699027628098788E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.372938220687703E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.006238753124581E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.588964172503743E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.451178061961521E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.395340853623554E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.213563610542497E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  5.275432716449289E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.293638603971144E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  5.032983958235840E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  7.315625735227634E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  8.165329912789325E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  1.889637838194086E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  1.529568952804234E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.519496749214809E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.727894719262284E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  7.009581223653826E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  7.514243096472469E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  8.010412668062848E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  8.233683907132922E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  6.850091420423551E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  6.072772167858427E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  7.017448872452470E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  9.172131431806922E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.067295534581595E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  5.937796862928703E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.188886564944540E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  8.227488081385545E-012
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.861616619245170E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  3.925755843880600E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.447161877267301E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  6.648559096068729E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  1.078523756648230E-003
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.660782745264930E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  7.903441064402015E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.872849309357903E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  5.227629565550555E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  4.373322239167998E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  4.097713409322879E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  7.054623721693667E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  6.948697667779636E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  5.933911454442189E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  6.918925727932215E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  3.498697621858078E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  6.069631030926939E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  3.997497766058537E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.493106864601646E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  3.412489370399355E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  3.008362010494424E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  5.155768551940887E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  7.970990535239546E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  2.955414688139056E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.570960601645347E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  7.184339773799770E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  5.266307567472309E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.111709506442865E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.972337182956560E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  4.537192737189585E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  6.835840821899139E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  5.389519308319149E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  9.342983573431041E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  3.954397269144704E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.746607392507633E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  2.609370332109617E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  3.395270654179193E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  4.097713066694124E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  7.054623414985010E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  6.948788720942342E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  5.933911971945537E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  6.918926604024115E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  3.498697433994949E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  6.069632243819374E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  3.997497490029276E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.493282689012424E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  3.412489086131645E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  3.008361894723414E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  5.155768892565515E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  7.970990232868582E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  2.955414709042945E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.570991150720237E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  7.184339513721695E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  5.266307956500926E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.112631511790186E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.972337271641161E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  4.537193918363288E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  6.835840139193494E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  5.389519140047864E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  9.342983660897321E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  3.954397167002021E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.747323147694805E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  2.609370155287873E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  3.395269169786096E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.653479790387049E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.405162408272418E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.701043513314383E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  3.208651953316487E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.080873862871336E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  5.612996339530829E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.971059392250408E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.127982289209796E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.833433429430711E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.592957262208079E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.392751192574670E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.948931763900399E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.016901560290655E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  6.698380835223724E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.915748132295059E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.186046016081747E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.192978379622727E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.138439060771382E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.270853077094551E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.899781225607446E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.133218237981825E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.603817964305849E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.740401935473228E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  3.611922187556657E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.191434061504818E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  2.130651139573346E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.669923715924394E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.289485197734799E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  4.574604347046521E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  7.992495466644895E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.318336884081020E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.792844322386931E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.133938926759848E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.512273835603445E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.043700958139082E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  9.457719642480401E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.362297600227426E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  5.336887246208795E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.234329623316415E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.037410396275711E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  8.240374829443554E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.730967191269532E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  9.709495769678910E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  9.286861850391249E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.404712560025240E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.334064866914423E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  9.144286372934249E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.649790584670985E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.490971252809548E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  2.494335387147507E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  1.411160824852333E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.294373141601316E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.171722077971160E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  2.159391264989025E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.733588941103366E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  7.395695079365198E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.246655765614138E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  4.855720675591278E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.016740315427465E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.046287701457048E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  2.621861913228166E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  7.301048501149616E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.058922583436091E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  2.449838596260330E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.676829249595813E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  2.955533532599474E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.732954698486777E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  8.376694894861054E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  7.160205019151994E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  4.143694556846713E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  5.493159016947562E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.288393842893981E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  2.162810183753202E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  4.584128637866316E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  7.931030157473757E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  5.316370408577942E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.373169392120115E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  1.246062651388430E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  7.128158158784034E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  4.211393459077052E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  6.422821344595436E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  1.087897137251808E-004
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.870561759519181E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  3.704550543253994E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.012293425088594E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  2.434019406559242E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  1.224930570507099E-004
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.769780043905440E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  1.313124088143198E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  2.566542595335346E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  1.225945798294337E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  2.126270142596099E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  1.480602308251215E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  3.806084720976171E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  3.369457021977211E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  2.277088678063136E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  7.160201341813899E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  4.143694395648815E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  5.493158932878157E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.287753798284091E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  2.162811481962205E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  4.584128421716533E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  7.931033092669365E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  5.316370272231565E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.373045081354843E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  1.246062590133413E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  7.128157813085684E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  4.211392761293556E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  6.422822478890802E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  1.087897058414834E-004
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.870562550473084E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  3.704550418252865E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.013413481917191E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  2.434019331370136E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  1.224929422254839E-004
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.768368141582381E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  1.313124060094316E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  2.566542992075887E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  1.225945768968360E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  2.126269958314379E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  1.480602244559687E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  3.805056819467234E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  3.369456926726711E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  2.277088529010576E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  1.091904216438154E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.623918071543999E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  4.610593994461250E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  9.688582567683019E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  4.632409097141441E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  2.556441750032690E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.372785316720719E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  4.009190201365260E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  1.051841913107026E-004
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  9.934807307046756E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  1.051242724683967E-004
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  9.450638320166203E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  1.053007925345585E-004
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  4.708901929642630E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.763781115589948E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.786972283598806E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  8.493072365918789E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  4.837604936070987E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  8.605318446251559E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  7.772896044173072E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  1.119513230818949E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.943463307611821E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  4.030666125900189E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  1.075618688362601E-004
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  1.348745927373355E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  6.292141361081272E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  7.392262493548292E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  8.995955651760672E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  4.810943790447602E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  2.704224225537046E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  3.678082718098968E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  3.926477333606530E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  5.669012897579068E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  1.495260460774507E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  6.914509864807815E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  2.479746343595134E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.389714995379929E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.498399233482672E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  4.515063328698736E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.749481043591786E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  1.471231676151395E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  4.005374328036610E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.960469753454892E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  1.176061578806510E-004
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  5.168477983086635E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  1.327508727745449E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  8.020010041582003E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  4.753660586496617E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  6.696943990642963E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.637885012020764E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  6.690607790356577E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  9.502374033235259E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  3.110623998264293E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  1.136182921827207E-004
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  7.710478625194308E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.952443935206133E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  6.636484627632685E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  2.116576848140037E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  1.346037872660206E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  1.068439457994460E-004
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  6.254286387658862E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  4.810840077026827E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  3.325148632285685E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  4.512933148879456E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  8.604335980077017E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  3.896370629194696E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  6.930688028474869E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  1.254459748311069E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  6.914504715749505E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  2.479746300916003E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.389708044189844E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.498404333671159E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  4.515063103791496E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.749481966390605E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  1.471231815175299E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  4.005372472977440E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.960466835436273E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  1.176062344205960E-004
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  5.168477677138106E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  1.327505323914432E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  8.020008720692661E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  4.753674293760722E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  6.696943066865432E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.637884395635852E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  6.690621410222870E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  9.502351771492153E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  3.110622349119583E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  1.136181679386748E-004
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  7.710477843121810E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.952456783388821E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  6.636481971944861E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  2.116574692609182E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  1.346035938802056E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  1.068439255449303E-004
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  6.254292050760842E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  4.810833404033496E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  3.325147871217501E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  4.512923291741222E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  8.604334191220016E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  3.896361139454450E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  6.930685739534829E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  1.254458069080488E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  1.091904366521709E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.623910779558621E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  4.610593651689133E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  9.688570086794101E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  4.632409175623283E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  2.556440559599848E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.372785476842755E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  4.009191426108673E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  1.051839956141592E-004
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  9.934815231747288E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  1.051242630408989E-004
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  9.450606165361584E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  1.053008057408475E-004
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  4.708888680398482E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.763780824203977E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.786972042144397E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  8.493084740325404E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  4.837603180226576E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  8.605318317958105E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  7.772881869965334E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  1.119513119670972E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.943450522019495E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  4.030667495125816E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  1.075616841782508E-004
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  1.348747595196381E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  6.292140814135096E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  7.392267633705845E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  8.995948492816454E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  4.810943044474384E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  2.704224586897753E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  3.678082497116189E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  3.926486097062601E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  5.669013747786990E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  1.495258765855696E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  3.078871004659220E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.737792329280226E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  2.199399402931548E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.838450217582661E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.612578911711836E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.520116456292056E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  5.313335901021054E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.970113585973095E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  4.013783585731678E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  1.192974003797639E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  8.430771353627038E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  1.261905865208233E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  5.867424714662471E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.213485212404612E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  4.753810985915335E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  1.637417207862593E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  1.786884927254189E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  3.827004414732213E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  1.037437958657124E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  1.092470827190773E-004
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  3.903351613020512E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  6.067540305568346E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  4.018679360469072E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  8.821783170956016E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  1.004830247060964E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  1.346537655591801E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  1.553032884770881E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  6.022434325504154E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  6.314740096272187E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  3.312976783197858E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  4.266210265027036E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  7.573991407631002E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  3.910775380327658E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  7.335616603162423E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  4.761812922951171E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  3.078870755025000E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.737788878495723E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  2.199399341835084E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.838455336706797E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.612579930666192E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.520116368382490E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  5.313336918613925E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.970113898236279E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  4.013785040981684E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  1.192971503858567E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  8.430772222038776E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  1.261905881313041E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  5.867403703663929E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.213485217931510E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  4.753798011248775E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  1.637417240137140E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  1.786884959774899E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  3.826995685966349E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  1.037436121390143E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  1.092470840651076E-004
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  3.903342442616607E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  6.067540587289289E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  4.018666702770714E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  8.821782814735734E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  1.004828294101072E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  1.346539430654447E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  1.553032894895408E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  6.022431646271642E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  6.314744576549123E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  3.312976938078381E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  4.266200670459043E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  7.573991059761778E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  3.910784363026338E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  7.335615931167989E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  4.761821385888086E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  3.094785447652998E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.273234721106026E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  6.002011716433873E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  2.878733815907956E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.944267974457560E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  2.931594186553159E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  3.645533792717805E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  2.125976667135126E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  4.029614554911028E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  6.005583943009366E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.243840180786257E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.909734580755969E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  3.949306878614858E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.438383647012212E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.469020186543262E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.501874911690053E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  6.651174917825410E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  5.079507121081750E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  1.011804201973594E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  1.076325997801102E-004
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.171757360675924E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  2.652444116486863E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  2.243899517129984E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  6.736058825613758E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  8.927285197060583E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  7.740428254206126E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  1.011468133700484E-004
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  8.182526233243486E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.712446491279158E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  9.903325525417871E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.606132476219401E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.265083339329164E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  1.676849342712604E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.426199237068209E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  1.321054370213124E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.253294784455246E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  7.603458990398293E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.401913320040101E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  2.455370248365772E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  2.537128174338222E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  4.472538980921284E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.427394992816459E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.953101002832062E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  3.486935837925489E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.798245498669072E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  3.179627036584100E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  2.026343540606366E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  2.096561354728171E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  6.088520467756006E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.243755153916108E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.999486862493563E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  3.506522891003153E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  7.229408901479164E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.355141984349692E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  3.477335144500745E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  2.550749162861619E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  8.569538587599314E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  1.081030089784717E-004
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  7.806140757040902E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  1.313065586750669E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  2.207116527973281E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  2.305153835242709E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.502941325942664E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.680944709540015E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  5.062616749077732E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  4.382421637101069E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.749250279058350E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  4.972833023539461E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  7.069336218109455E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  1.167501473995575E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  8.443914860899457E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  1.482659719874410E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  6.730632907331624E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.742703583424701E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  4.016545912770202E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  8.603723426623361E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  2.455363634577608E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  2.537128055982773E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  4.472527080054838E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.427394991081965E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.953101045532132E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  3.486936116673900E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.798245489667191E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  3.179626717841293E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  2.026343499166682E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  2.096634090709741E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  6.088495393726658E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.243755263817081E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.999486787389913E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  3.506518078356997E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  7.229408747316715E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.356290883754272E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  3.477335051741258E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  2.550749147926138E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  8.569537827999141E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  1.081030146159741E-004
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  7.806142993896729E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  1.313065575621088E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  2.207116294964870E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  2.305153759092653E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.502941220194451E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.681036312370179E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  5.062616580096555E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  4.382421809019608E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.749149267743764E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  4.972832972832347E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  7.069304812416830E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  1.167498938929876E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  8.443914463998739E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  1.482659479974399E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  6.730632679507650E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.727135401499449E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  4.016545887202105E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  8.603695037065926E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.249441653990179E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.624719351189339E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.268384038722159E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.711274411090867E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.582873065480262E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  9.682913044357086E-007
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.705535582356512E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.789962018720857E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.171219563426061E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  3.075409425377119E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.707203599551758E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.604100538097600E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.892922816043285E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.788408434950152E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.933354017628933E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.752028775570015E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.658468357534875E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  3.067948176562265E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.590520875218542E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.377704599191004E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.273374150313415E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  9.208276888537969E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  8.720691281757122E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  1.044534260486233E-006
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.587937814583684E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.480385804753562E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.164905440371015E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.125655897166016E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  6.893008552928784E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  7.803117020302263E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  4.192181348057231E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  1.049333924935136E-006
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.631588653039426E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.800603250771617E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.064934073428204E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.341723909593012E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  9.781193098089093E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  2.033643207707347E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  5.550582289233772E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.950367690798095E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.414374757912171E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  2.010478925627605E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.185741697720421E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.552384968045518E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.225863723745612E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.086425534485110E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.972727486173040E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.170457944341527E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  6.474587154381454E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  8.779890175066590E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.019426169592323E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.757945673677297E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.986529655857037E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.086605162959235E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  1.364120679448062E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.132969279537994E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.027254325501256E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.164564987964009E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  6.891105598853736E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.632663874665404E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.601738246240539E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  1.109287030836024E-003
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.595281247373786E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  7.913271921246084E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  1.371693350504962E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.762240591273407E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  1.239275568254728E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  4.388539071660678E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  7.607145874288246E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  9.089787475054084E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.695430678545346E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  5.486447755523445E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  6.829490736220590E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  5.980885361235211E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  7.649122293855416E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  3.440884121805788E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.222123412411408E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  6.651988045054021E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  1.181768340054806E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  1.109286952226744E-003
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.594849214246258E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  7.913271668485966E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  1.371693459769981E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.757153816838252E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  1.239275528632408E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  4.388538921783887E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  7.607145605812274E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  9.089787103860162E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.695448717597339E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  5.485373001351418E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  6.829490615591636E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  5.980885410146042E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  7.649121981583506E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  3.440884012569027E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.221752386701749E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  6.651987752438103E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  1.181768444469176E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  1.212478726563405E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  4.008433157492183E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.646318289844016E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  1.375527574611043E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  6.718929086196602E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  1.548814985810108E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.458822353282084E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  9.321143043933314E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.360902737988482E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.074958901909084E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  1.276823933017342E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.486652699533217E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  8.142099646297744E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.170783268773966E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  1.147453797781463E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.749462002508305E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  1.016806412132573E-003
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  4.784379124873073E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  3.565436533362759E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.721369254734809E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.962709086807058E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.358629623353246E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.117232750293478E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.414963968862175E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  9.099857663678964E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  4.142830638315071E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  6.724196362284928E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  1.319818666596056E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.850455217354934E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.156160531452617E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.866067379431210E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  1.374959864480758E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  5.121316798886732E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  1.550385981583482E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  1.089465251750968E-003
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  6.794580688898671E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  9.921613707113040E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  7.034370032172272E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  6.375650676485671E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  1.103928504703340E-003
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  4.065809009648219E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.875734579466598E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  5.726294264726485E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  5.339346588603666E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  1.017451092263842E-003
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  3.568752706163783E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  4.745126126276575E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.445627484631216E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  6.929505436464457E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  8.187258749364062E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  1.001155235530138E-003
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  1.140937356320894E-003
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  2.068652430317872E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  3.598262473160548E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  6.592177900269186E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.645128404408165E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  5.777017575100697E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  1.418511931386070E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  1.374959822784399E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  5.121316399319252E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  1.550385950946779E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  1.089465220777128E-003
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  6.794545111618855E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  9.921615206339460E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  7.034370804248182E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  6.375650430509830E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  1.103928666243608E-003
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  4.065808929624733E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.876464543660651E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  5.726294129624225E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  5.339346362319905E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  1.017451061669821E-003
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  3.568752491417747E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  4.745125885847153E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.445617192232534E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  6.930871294994079E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  8.187258532764482E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  1.001155492355057E-003
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  1.140937426897495E-003
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  2.068652274666736E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  3.598264001642407E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  6.592177703781414E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.645009283602669E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  5.777017343947726E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  1.418512214074990E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.543371418298221E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.003805491242634E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.621168630953372E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.387053527720271E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.185087499892483E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.660836760516545E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.020453286670715E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.663261311731273E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.272413441821124E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.860640856952896E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.237181690552299E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.639466217860683E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.905155636087928E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  8.362482188120839E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.983356973264574E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.146549816535954E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.850460363568023E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.279759796623769E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.364216157508679E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.637171550303417E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.887598415102467E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.568246069508783E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.551085743071818E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.674078717204665E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.428087337032614E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.351800525331854E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  6.038347319154381E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.172983102539616E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.964273932730327E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.063012359401049E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.142850505688774E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.654895824179331E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.490958295780687E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.809449315108187E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.475815355633378E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.769143760929318E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.293874002950176E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  5.717852977214443E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.308681311112653E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.441137675252803E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  9.889136488794528E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  9.552525093919824E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.530982869025014E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  2.018841022864937E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.077416158226191E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  9.332418148509092E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  7.428288495943256E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  6.834163129753440E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  7.852468779609379E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  8.536681485960189E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  6.857021981001078E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  5.750463707033289E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  6.729404409139472E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  1.217836399479025E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  5.878427206458516E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  5.448838830260749E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.511763530669120E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.115113318874928E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.117620041246451E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  3.569046833971664E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.862585252295868E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  5.922713629716347E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  1.119837819605581E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.857736569986464E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  8.318523299313963E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.740402869853326E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  5.182034908577573E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  4.117814855457780E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  4.790355251759922E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  8.249927114509109E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.653292906283944E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  5.941993811260737E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  6.779961380055121E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  3.707903843753535E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  6.432053892339400E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  3.918784840895312E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.908338369691030E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  3.415356473189207E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  2.846117107154907E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  4.733284989332359E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  8.294835817322881E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  2.710437089901101E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.742902535575226E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  6.903536264078341E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  4.987665700639991E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  4.653667077694055E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.792923456739335E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  4.497729779522101E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  7.193048226003380E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  5.595212210950494E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  9.700051053323347E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  4.161944296145203E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.228543802550558E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  2.586481103401766E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  3.085207877414640E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  4.790354790255643E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  8.249927060542759E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.653374212606243E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  5.941994367363144E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  6.779962264988204E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  3.707903675244791E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  6.432055110051852E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  3.918784611770232E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.908507789078646E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  3.415356225693091E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  2.846117008714439E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  4.733285326742110E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  8.294835504856335E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  2.710437092192220E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.742930243613578E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  6.903536072295477E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  4.987666015515822E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  4.654615883255810E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.792923497606124E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  4.497730863153541E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  7.193047567300337E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  5.595212023882560E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  9.700051155161257E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  4.161944190633628E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.229262993836204E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  2.586480947393996E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  3.085206523845556E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  7.006197354215964E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.346591318537304E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.947225082846833E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  3.441102692788395E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.220993445992337E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  6.774164879006303E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.854028213544185E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  9.853427829239642E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.107009626453319E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.797364223495188E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.658469309376020E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.061624318546590E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.015663885202138E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  6.672145964291893E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.928302565598847E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.127541220292319E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.227180672933104E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.192587613264976E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.215820800464597E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.149930014657752E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.876795870139663E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.937184907358322E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.092160551811049E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.214673129279627E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.295103143974055E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  2.099408979893954E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.917838790920645E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.288389321889864E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  4.798338758645161E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.406494215700074E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.545761619579644E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.538070291900299E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.743919341448186E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.496874456269509E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.046733232183193E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  9.884576591945986E-007
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.590843466366809E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  5.350048771217825E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.198658270297680E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.646227765243208E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  8.256207649807318E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.623805298699136E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.045562472481804E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  8.155027900819305E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.373187625749946E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.294054559819356E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  8.872410704629522E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.564897710206256E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.783445154775288E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.923900770840507E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  1.132690347018076E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.319946547143222E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.178527315633469E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.816633820061521E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.590236475337197E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  7.822476938888716E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.195212494385456E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  4.134820226099444E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.039272505194095E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  9.974466038954449E-011
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  2.668603873275381E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  7.698560678518344E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  2.947901598524063E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  2.411305026759862E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.577920537789866E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  2.958049172495055E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.466100684272838E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.082846770699596E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  7.175060690437894E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  4.146209456747076E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  5.861252126580223E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  3.011259109227684E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  2.534910452637650E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  4.450689352772753E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  7.696315690400849E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  4.957205845565603E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.278959663778979E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.459306377563365E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  5.658422324310819E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  3.588528504683447E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  6.794026353662044E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  9.176632447060470E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  1.573666591870265E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  3.917690863345141E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  4.917295790683464E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  2.074106075163699E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  9.837408069249994E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.571004702908927E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  1.336220326921878E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  2.569544263960019E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  1.206257902569030E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  2.093135277424914E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  1.481374096312605E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.555759477505513E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  2.897648508264670E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  2.318185030836147E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  7.175057263733472E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  4.146209275421649E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  5.861251961640690E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  3.010800679104317E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  2.534912340456640E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  4.450689139964169E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  7.696318477717313E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  4.957205717561560E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.278854872911610E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.459306289460689E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  5.658422210890397E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  3.588528329941493E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  6.794027559237689E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  9.176631819834833E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  1.573667516795021E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  3.917690709434039E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  4.918403080838545E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  2.074106013669412E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  9.837410498851291E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.569663278236849E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  1.336220289486962E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  2.569544603872769E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  1.206257865383386E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  2.093135344546134E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  1.481374027920451E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.554814328986295E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  2.897648435561831E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  2.318184816479288E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.521068465127385E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  2.860633055555345E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.923745809776296E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.492979194732987E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  4.108557669147208E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  3.341311646646669E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  1.132477747080481E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  3.919521516473479E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  2.027900167224436E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  1.214829782870656E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  1.056609680237477E-004
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  3.910932787935155E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.410479801059320E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  4.199381173244599E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  6.422772520193609E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  5.749877995803454E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.611465503851249E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  6.609758014761120E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  9.591231443577386E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  5.998085708243721E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  5.771828847731435E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.972300296235381E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.462541125502022E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  1.343647545635277E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  1.295981079084886E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  4.594376526200233E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  5.873329825887920E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.492494228841325E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  3.183625864593389E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  3.131387155185630E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  4.193161634705105E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  4.041530940969531E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.212780193434424E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  1.084325658376849E-004
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  4.817198320565834E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.665860084149543E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  8.066276663861440E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.696189640595217E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.960425329031488E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.854394143181320E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.776928146457835E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  3.917228861341086E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  1.396583078415548E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.388220984782102E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  7.861654071799099E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  8.050373182381144E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  1.186972681429886E-004
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  4.224513445896808E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.614977595126293E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  9.113336867649218E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  1.205741045617103E-004
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.927859380691879E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  7.520700928534223E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  8.595668045292392E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  8.218837675592625E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.974339426613393E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.676011213518013E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  1.190851356191353E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  1.293900170483807E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  8.236025098519602E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  7.662700795669819E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  3.995192848712630E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  4.140181964317602E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.540368558218642E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  2.820628645632251E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  4.015896627001234E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.080885820331786E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  8.789191292491695E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  4.817193151872304E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.665859980963120E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  8.066236526138775E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.696188913949013E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.960425079601912E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.854395315631746E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.776928287480388E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  3.917227071673412E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  1.396580605281026E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.388222134803557E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  7.861654604288674E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  8.050341809245454E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  1.186972711708674E-004
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  4.224525883028123E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.614977790067218E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  9.113336178742281E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  1.205743230631556E-004
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.927849882866432E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  7.520701181785769E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  8.595658630964942E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  8.218837891529369E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.974350474690298E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.676013244353977E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  1.190849307655843E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  1.293898266423725E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  8.236023373289132E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  7.662710627760120E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  3.995185953976038E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  4.140181824576247E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.540375581296739E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  2.820628814576040E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  4.015887045600714E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.080886014301403E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  8.789175582637996E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.521068735531635E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  2.860640687765129E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.923745480442982E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.492977936939385E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  4.108557705824497E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  3.341310413522636E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  1.132477980482629E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  3.919522461981095E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  2.027898102031666E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  1.214830077257045E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  1.056609578727815E-004
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  3.910941187107454E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.410480023791312E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  4.199368883423196E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  6.422771250306387E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  5.749875561179704E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.611461323030132E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  6.609750540899638E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  9.591231066357943E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  5.998072038776237E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  5.771829619881257E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.972289170132098E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.462541326833248E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  1.343645682680511E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  1.295982641978753E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  4.594376197381724E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  5.873321018898932E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.492493518173370E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  3.183626685581765E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  3.131382473851231E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  4.193162097873859E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  4.041539656822499E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.212780362648374E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  1.084323980281250E-004
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  3.143879755518055E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  3.158130724843653E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.331994966002635E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  3.473870240054465E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.640158312461791E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  8.445105456719611E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  5.266951636351913E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  9.015794257445697E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  3.915999111119804E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  8.895560773652513E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.302060074191091E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  3.710386312213181E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  1.022343638399975E-004
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.367267647791347E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  4.243963972175482E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  1.901416998035973E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  1.405589145801085E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.329646328693513E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  8.000248371098867E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  6.596279131972373E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  9.148318968170381E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  3.608862994620030E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  3.032529654101006E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  7.180071200916815E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  3.283641555022717E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  1.291456216916905E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  1.090375973319403E-004
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.320172844089070E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.580348231992615E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.525833326936602E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  4.302488460212725E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  3.204657793168098E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  4.017417826634405E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  2.331648210934881E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  4.510052345428047E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  3.143879360125796E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  3.158134701073874E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.331994511558821E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  3.473863040887855E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.640159501087952E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  8.445105622361078E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  5.266952803085824E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  9.015793905524372E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  3.916000494445520E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  8.895573606525057E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.302060863526928E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  3.710386703957607E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  1.022341076072657E-004
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.367267650481939E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  4.243951803487765E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  1.901417091896492E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  1.405589142209051E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.329648332081810E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  8.000251627483038E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  6.596278637195477E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  9.148320091610434E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  3.608863142207176E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  3.032518414426540E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  7.180070043758097E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  3.283655752312493E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  1.291457952113665E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  1.090375939672746E-004
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.320173808736361E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.580341549450453E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.525833395920522E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  4.302494740200874E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  3.204657294740239E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  4.017426995175112E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  2.331647535742881E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  4.510062856315539E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  3.504433096425534E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.525991203685430E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.893743238346303E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.995372326009322E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  2.179761490811359E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  5.866992991817008E-012
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  2.650079375227992E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  2.727062346638627E-012
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  3.738523529753791E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.225480678088843E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.269989642894300E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.265329474161153E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  3.653595443848596E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.592528478893166E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.957715098177182E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.812652461676399E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  2.709901595679101E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  7.147082220391082E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  1.471360379883242E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.994539974346354E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.814934049546354E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  2.271246807916393E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  7.125919383006695E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  2.627724583331678E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  6.631108543768680E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  6.738400631567885E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  2.280110025604454E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  5.381212171574338E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.517212717006328E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  4.908791423075206E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.675730893907915E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.302331613473279E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.713089690337739E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.408198982500264E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  1.303049625151224E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.104532620636683E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  5.172266845776323E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.326711935389459E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.716118499200478E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  2.199132729523910E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  3.888043768426271E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  9.871702140830147E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  2.181597537812017E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  3.226740617284377E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  1.303112046754852E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  2.316105813278097E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.881728940213431E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.521179544568220E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  2.894128647108470E-005
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.667012024475767E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  1.862533409948714E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  3.271428145605411E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  9.658809526835576E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.766207170225351E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  1.624656090912314E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  3.570774769619313E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.954923875281232E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.997647596528382E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  5.687543211686850E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  1.123290650975953E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  7.075532768703432E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.974722484226727E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  3.312604706306198E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  4.001468111956779E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  1.140977846801454E-004
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  6.119035574820337E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.298088487862481E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  2.483148912012328E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  5.036726860639284E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  1.156223437877463E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  8.645949813954450E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  1.517845288207605E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  6.661550592421838E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.139682189741547E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  2.842529432918316E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  4.324423732127365E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.716113691765834E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  2.199133242800956E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  3.888031177350850E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  9.871700341519850E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  2.181597459293157E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  3.226740743637449E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  1.303111913857150E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  2.316105617747690E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.881728989013571E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.521251110903777E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  2.894106635293404E-005
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.667012261325436E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  1.862533453168974E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  3.271423394611670E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  9.658809313949233E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.767234048249681E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  1.624656606281999E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  3.570774587708235E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.954923708209833E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.997647562641256E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  5.687542827608057E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  1.123290603522610E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  7.075532183439637E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.974722424160468E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  3.312604584129573E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  4.001238563288016E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  1.140977799948417E-004
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  6.119034851724911E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.298677949614538E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  2.483148892153578E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  5.036695685206191E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  1.156220949714037E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  8.645949840275421E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  1.517845586507088E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  6.661550823115590E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.126823976297650E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  2.842530048827952E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  4.324397948930223E-005
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.44394962 p = -3227.62013734
                                d =  -843.27741933 f =   -23.02803408
       valence  contribution :  s =    -0.07804620 p =    -0.02222144
                                d =    -0.28718943 f =    -0.00225514
                                ns      0.00341264
     single particle energies  spin  up    
         core   contribution :  s = -6845.28552200 p = -3229.63862287
                                d =  -844.95789961 f =   -24.20666089
       valence  contribution :  s =    -0.11191720 p =    -0.03121266
                                d =    -0.86529189 f =    -0.00311315
                                ns      0.00651560
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21883.84956460
                                   band energy per atom :   -1.3913188708

     coulomb  contribution :   0  13853.59649777  1      0.00917570
                               2      0.00064972  3     -0.00136168
                               4      0.00184115  5     -0.00001784
                               6     -0.00002742
     --------------------------------------------------------------------
     tot. coulomb contribution :  13853.60675740

     ex.-cor. contribution :   0   -675.19574556  1      0.00894833
                               2      0.00243584  3     -0.00763092
                               4     -0.00767177  5      0.00236405
                               6      0.00005370
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -675.19724632

     eff. pot. contribution     : -26935.64318704
     total double counting contribution                 : -13757.23367597

   Total contribution of atom  1 =-35641.08324057
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07668472 p =    -0.08875022
                                d =    -0.03894797 f =    -0.01190307
                                ns      0.03642593
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10084239 p =    -0.11684204
                                d =    -0.05528101 f =    -0.01957154
                                ns      0.05222007
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42017698
                                   band energy per atom :   -0.4201769767

     coulomb  contribution :   0     -0.18059007  1      0.00388712
                               2      0.01500774  3      0.00253677
                               4      0.00088043  5      0.00059502
                               6      0.00002375
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15765923

     ex.-cor. contribution :   0     -0.69066288  1     -0.00069150
                               2      0.05242328  3      0.00999057
                               4      0.01925238  5      0.00394610
                               6      0.00049051
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60525152

     eff. pot. contribution     :     -0.46654228
     total double counting contribution                 :     -1.22945304

   Total contribution of atom  2 =    -1.64963002
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07660248 p =    -0.08864611
                                d =    -0.03891231 f =    -0.01188990
                                ns      0.03634669
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10074225 p =    -0.11669799
                                d =    -0.05521931 f =    -0.01954776
                                ns      0.05210498
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41980644
                                   band energy per atom :   -0.4198064368

     coulomb  contribution :   0     -0.18084691  1      0.00391095
                               2      0.01501471  3      0.00252808
                               4      0.00088817  5      0.00059659
                               6      0.00002390
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15788450

     ex.-cor. contribution :   0     -0.68998390  1     -0.00070703
                               2      0.05235761  3      0.00997304
                               4      0.01918902  5      0.00393913
                               6      0.00048820
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60474393

     eff. pot. contribution     :     -0.46625414
     total double counting contribution                 :     -1.22888258

   Total contribution of atom  3 =    -1.64868901
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07660248 p =    -0.08864611
                                d =    -0.03891231 f =    -0.01188990
                                ns      0.03634669
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10074225 p =    -0.11669799
                                d =    -0.05521931 f =    -0.01954776
                                ns      0.05210498
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41980644
                                   band energy per atom :   -0.4198064400

     coulomb  contribution :   0     -0.18084691  1      0.00391095
                               2      0.01501471  3      0.00252808
                               4      0.00088817  5      0.00059659
                               6      0.00002390
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15788451

     ex.-cor. contribution :   0     -0.68998390  1     -0.00070703
                               2      0.05235761  3      0.00997303
                               4      0.01918902  5      0.00393913
                               6      0.00048820
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60474393

     eff. pot. contribution     :     -0.46625414
     total double counting contribution                 :     -1.22888258

   Total contribution of atom  4 =    -1.64868902
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04685236 p =    -0.05728486
                                d =    -0.02628354 f =    -0.00826187
                                ns      0.00789692
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06196256 p =    -0.07317166
                                d =    -0.03451057 f =    -0.01165887
                                ns      0.01020427
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30188510
                                   band energy per atom :   -0.3018850970

     coulomb  contribution :   0     -0.12206283  1     -0.00120810
                               2     -0.00040527  3     -0.00003896
                               4      0.00176724  5      0.00014703
                               6      0.00027334
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12152755

     ex.-cor. contribution :   0     -0.41996143  1     -0.00014058
                               2     -0.00033961  3     -0.00002424
                               4      0.01728677  5      0.00001149
                               6      0.00111993
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40204768

     eff. pot. contribution     :     -0.44572572
     total double counting contribution                 :     -0.96930095

   Total contribution of atom  5 =    -1.27118605
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04685205 p =    -0.05730175
                                d =    -0.02629283 f =    -0.00826130
                                ns      0.00789809
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06195378 p =    -0.07318622
                                d =    -0.03452228 f =    -0.01165928
                                ns      0.01020529
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30192611
                                   band energy per atom :   -0.3019261127

     coulomb  contribution :   0     -0.12191511  1     -0.00120874
                               2     -0.00040560  3     -0.00003783
                               4      0.00176102  5      0.00014742
                               6      0.00027231
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12138653

     ex.-cor. contribution :   0     -0.41992682  1     -0.00014193
                               2     -0.00033563  3     -0.00002487
                               4      0.01729000  5      0.00001173
                               6      0.00111590
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40201162

     eff. pot. contribution     :     -0.44568975
     total double counting contribution                 :     -0.96908790

   Total contribution of atom  6 =    -1.27101401
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04685205 p =    -0.05730175
                                d =    -0.02629283 f =    -0.00826130
                                ns      0.00789809
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06195378 p =    -0.07318622
                                d =    -0.03452228 f =    -0.01165928
                                ns      0.01020529
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30192611
                                   band energy per atom :   -0.3019261144

     coulomb  contribution :   0     -0.12191511  1     -0.00120874
                               2     -0.00040561  3     -0.00003783
                               4      0.00176102  5      0.00014742
                               6      0.00027231
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12138653

     ex.-cor. contribution :   0     -0.41992682  1     -0.00014193
                               2     -0.00033564  3     -0.00002487
                               4      0.01729004  5      0.00001173
                               6      0.00111590
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40201159

     eff. pot. contribution     :     -0.44568975
     total double counting contribution                 :     -0.96908786

   Total contribution of atom  7 =    -1.27101398
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06920886 p =    -0.08094587
                                d =    -0.03307437 f =    -0.00860979
                                ns      0.01593816
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09075575 p =    -0.10617876
                                d =    -0.04661145 f =    -0.01358304
                                ns      0.02186338
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41116635
                                   band energy per atom :   -0.4111663548

     coulomb  contribution :   0     -0.18104280  1     -0.00197788
                               2     -0.00278670  3      0.00337384
                               4      0.00308399  5      0.00030951
                               6      0.00022949
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.17881054

     ex.-cor. contribution :   0     -0.61012269  1      0.00224286
                               2      0.00349190  3      0.00067226
                               4      0.02956701  5      0.00087520
                               6      0.00052850
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57274496

     eff. pot. contribution     :     -0.44728695
     total double counting contribution                 :     -1.19884246

   Total contribution of atom  8 =    -1.61000881
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.43965656 p = -1089.49485725
                                d =  -190.45384184
       valence  contribution :  s =    -0.44573984 p =    -0.16069766
                                d =    -0.01424345 f =    -0.00429782
                                ns     -0.00264101
     single particle energies  spin  up    
         core   contribution :  s = -2636.11089248 p = -1091.00543071
                                d =  -192.12859218
       valence  contribution :  s =    -0.56341254 p =    -0.24131086
                                d =    -0.02052285 f =    -0.00609994
                                ns     -0.00322570
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.09546269
                                   band energy per atom :   -1.4621916695

     coulomb  contribution :   0   5102.16888997  1     -0.00006386
                               2      0.00044460  3      0.00212711
                               4     -0.00922399  5      0.00000075
                               6      0.00012053
     --------------------------------------------------------------------
     tot. coulomb contribution :   5102.16229512

     ex.-cor. contribution :   0   -329.18070435  1     -0.00003751
                               2     -0.00027117  3      0.00356340
                               4     -0.01862814  5      0.00002372
                               6      0.00035042
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.19570363

     eff. pot. contribution     :  -9890.96262873
     total double counting contribution                 :  -5117.99603724

   Total contribution of atom  9 =-12954.09149993
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.43976899 p = -1089.49510476
                                d =  -190.45410459
       valence  contribution :  s =    -0.44567911 p =    -0.16063338
                                d =    -0.01424598 f =    -0.00430041
                                ns     -0.00264308
     single particle energies  spin  up    
         core   contribution :  s = -2636.11100484 p = -1091.00567802
                                d =  -192.12885466
       valence  contribution :  s =    -0.56335341 p =    -0.24120721
                                d =    -0.02052493 f =    -0.00610342
                                ns     -0.00322994
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.09643673
                                   band energy per atom :   -1.4619208757

     coulomb  contribution :   0   5102.15080004  1     -0.00006799
                               2      0.00044199  3      0.00213061
                               4     -0.00923595  5      0.00000156
                               6      0.00012077
     --------------------------------------------------------------------
     tot. coulomb contribution :   5102.14419103

     ex.-cor. contribution :   0   -329.18019037  1     -0.00003843
                               2     -0.00027464  3      0.00356249
                               4     -0.01864829  5      0.00002447
                               6      0.00035084
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.19521393

     eff. pot. contribution     :  -9890.94305675
     total double counting contribution                 :  -5117.99407964

   Total contribution of atom 10 =-12954.09051638
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.43976899 p = -1089.49510476
                                d =  -190.45410459
       valence  contribution :  s =    -0.44567911 p =    -0.16063338
                                d =    -0.01424598 f =    -0.00430041
                                ns     -0.00264308
     single particle energies  spin  up    
         core   contribution :  s = -2636.11100485 p = -1091.00567803
                                d =  -192.12885466
       valence  contribution :  s =    -0.56335342 p =    -0.24120721
                                d =    -0.02052493 f =    -0.00610342
                                ns     -0.00322994
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.09643676
                                   band energy per atom :   -1.4619208781

     coulomb  contribution :   0   5102.15080011  1     -0.00006799
                               2      0.00044199  3      0.00213061
                               4     -0.00923595  5      0.00000156
                               6      0.00012077
     --------------------------------------------------------------------
     tot. coulomb contribution :   5102.14419110

     ex.-cor. contribution :   0   -329.18019040  1     -0.00003843
                               2     -0.00027463  3      0.00356156
                               4     -0.01864778  5      0.00002447
                               6      0.00035084
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.19521436

     eff. pot. contribution     :  -9890.94305679
     total double counting contribution                 :  -5117.99408005

   Total contribution of atom 11 =-12954.09051681
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08401917 p =    -0.10409450
                                d =    -0.04790936 f =    -0.01421597
                                ns      0.04875145
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10556599 p =    -0.12701762
                                d =    -0.05970570 f =    -0.01896011
                                ns      0.06193497
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45080199
                                   band energy per atom :   -0.4508019950

     coulomb  contribution :   0     -0.23460869  1     -0.00215073
                               2      0.00115024  3      0.00246854
                               4      0.00448823  5      0.00095094
                               6      0.00003757
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.22766391

     ex.-cor. contribution :   0     -0.65962022  1     -0.00139967
                               2      0.05027601  3      0.00877203
                               4      0.01930657  5      0.00401817
                               6      0.00027381
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57837331

     eff. pot. contribution     :     -0.40407595
     total double counting contribution                 :     -1.21011317

   Total contribution of atom 12 =    -1.66091516
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62912110 p = -1150.92145934
                                d =  -209.36514366
       valence  contribution :  s =    -0.59276419 p =    -0.21193358
                                d =    -0.01360311 f =    -0.00361337
                                ns      0.00142198
     single particle energies  spin  up    
         core   contribution :  s = -2756.30083694 p = -1152.43328791
                                d =  -211.04214336
       valence  contribution :  s =    -0.71073305 p =    -0.33352080
                                d =    -0.01488257 f =    -0.00372490
                                ns      0.00131464
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57403128
                                   band energy per atom :   -1.8820389594

     coulomb  contribution :   0   5302.47550853  1      0.00188039
                               2     -0.00126655  3     -0.00447799
                               4     -0.00650605  5      0.00077778
                               6     -0.00000180
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.46591430

     ex.-cor. contribution :   0   -339.76005763  1      0.01204909
                               2     -0.00314223  3     -0.01500370
                               4     -0.01430486  5      0.00226391
                               6     -0.00000815
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77820357

     eff. pot. contribution     : -10305.40500326
     total double counting contribution                 :  -5342.71729253

   Total contribution of atom 13 =-13580.29132380
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62923266 p = -1150.92171010
                                d =  -209.36542107
       valence  contribution :  s =    -0.59275544 p =    -0.21194711
                                d =    -0.01360129 f =    -0.00361347
                                ns      0.00142006
     single particle energies  spin  up    
         core   contribution :  s = -2756.30094842 p = -1152.43353856
                                d =  -211.04242063
       valence  contribution :  s =    -0.71072431 p =    -0.33353354
                                d =    -0.01488062 f =    -0.00372486
                                ns      0.00131162
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57532038
                                   band energy per atom :   -1.8820489413

     coulomb  contribution :   0   5302.47681573  1      0.00189323
                               2     -0.00127218  3     -0.00447305
                               4     -0.00651026  5      0.00077885
                               6     -0.00000178
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.46723054

     ex.-cor. contribution :   0   -339.76007119  1      0.01204847
                               2     -0.00315316  3     -0.01495329
                               4     -0.01431576  5      0.00226522
                               6     -0.00000804
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77818775

     eff. pot. contribution     : -10305.40475789
     total double counting contribution                 :  -5342.71571510

   Total contribution of atom 14 =-13580.29103548
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62923262 p = -1150.92171010
                                d =  -209.36542107
       valence  contribution :  s =    -0.59275544 p =    -0.21194711
                                d =    -0.01360129 f =    -0.00361347
                                ns      0.00142006
     single particle energies  spin  up    
         core   contribution :  s = -2756.30094847 p = -1152.43353856
                                d =  -211.04242063
       valence  contribution :  s =    -0.71072431 p =    -0.33353354
                                d =    -0.01488062 f =    -0.00372486
                                ns      0.00131162
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.57532039
                                   band energy per atom :   -1.8820489419

     coulomb  contribution :   0   5302.47681585  1      0.00189323
                               2     -0.00127218  3     -0.00447305
                               4     -0.00651026  5      0.00077885
                               6     -0.00000178
     --------------------------------------------------------------------
     tot. coulomb contribution :   5302.46723067

     ex.-cor. contribution :   0   -339.76007123  1      0.01204847
                               2     -0.00315317  3     -0.01495648
                               4     -0.01431245  5      0.00226522
                               6     -0.00000804
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.77818767

     eff. pot. contribution     : -10305.40475801
     total double counting contribution                 :  -5342.71571502

   Total contribution of atom 15 =-13580.29103541
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64121697 p = -1150.95004597
                                d =  -209.39955099
       valence  contribution :  s =    -0.59784250 p =    -0.21688934
                                d =    -0.01329029 f =    -0.00347148
                                ns      0.00004152
     single particle energies  spin  up    
         core   contribution :  s = -2756.31283488 p = -1152.46160761
                                d =  -211.07605378
       valence  contribution :  s =    -0.71519977 p =    -0.33993642
                                d =    -0.01499783 f =    -0.00382135
                                ns      0.00027985
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.74643783
                                   band energy per atom :   -1.9051276126

     coulomb  contribution :   0   5304.28647309  1      0.00330809
                               2     -0.00158350  3     -0.00442454
                               4     -0.00653181  5      0.00073122
                               6     -0.00002232
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.27795024

     ex.-cor. contribution :   0   -339.80870754  1      0.01194508
                               2     -0.00382195  3     -0.01369844
                               4     -0.01399700  5      0.00204447
                               6     -0.00003579
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82627116

     eff. pot. contribution     : -10307.04739531
     total double counting contribution                 :  -5342.59571623

   Total contribution of atom 16 =-13580.34215406
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64110230 p = -1150.94978630
                                d =  -209.39926023
       valence  contribution :  s =    -0.59780571 p =    -0.21690259
                                d =    -0.01328953 f =    -0.00347098
                                ns      0.00003846
     single particle energies  spin  up    
         core   contribution :  s = -2756.31272006 p = -1152.46134759
                                d =  -211.07576235
       valence  contribution :  s =    -0.71515652 p =    -0.33994831
                                d =    -0.01499773 f =    -0.00382094
                                ns      0.00027633
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.74505636
                                   band energy per atom :   -1.9050775269

     coulomb  contribution :   0   5304.28078242  1      0.00329320
                               2     -0.00157830  3     -0.00442746
                               4     -0.00653110  5      0.00073043
                               6     -0.00002221
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.27224697

     ex.-cor. contribution :   0   -339.80861954  1      0.01194303
                               2     -0.00380852  3     -0.01370460
                               4     -0.01399823  5      0.00204457
                               6     -0.00003567
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82617895

     eff. pot. contribution     : -10307.04345035
     total double counting contribution                 :  -5342.59738233

   Total contribution of atom 17 =-13580.34243869
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64110228 p = -1150.94978630
                                d =  -209.39926024
       valence  contribution :  s =    -0.59780571 p =    -0.21690259
                                d =    -0.01328953 f =    -0.00347098
                                ns      0.00003846
     single particle energies  spin  up    
         core   contribution :  s = -2756.31272009 p = -1152.46134759
                                d =  -211.07576235
       valence  contribution :  s =    -0.71515652 p =    -0.33994831
                                d =    -0.01499773 f =    -0.00382094
                                ns      0.00027633
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.74505638
                                   band energy per atom :   -1.9050775288

     coulomb  contribution :   0   5304.28078256  1      0.00329320
                               2     -0.00157830  3     -0.00442746
                               4     -0.00653110  5      0.00073043
                               6     -0.00002221
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.27224711

     ex.-cor. contribution :   0   -339.80861950  1      0.01194303
                               2     -0.00380854  3     -0.01370330
                               4     -0.01400127  5      0.00204457
                               6     -0.00003567
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82618067

     eff. pot. contribution     : -10307.04345047
     total double counting contribution                 :  -5342.59738403

   Total contribution of atom 18 =-13580.34244042
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64121699 p = -1150.95004597
                                d =  -209.39955099
       valence  contribution :  s =    -0.59784250 p =    -0.21688934
                                d =    -0.01329029 f =    -0.00347148
                                ns      0.00004152
     single particle energies  spin  up    
         core   contribution :  s = -2756.31283488 p = -1152.46160761
                                d =  -211.07605378
       valence  contribution :  s =    -0.71519977 p =    -0.33993642
                                d =    -0.01499783 f =    -0.00382135
                                ns      0.00027985
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.74643784
                                   band energy per atom :   -1.9051276139

     coulomb  contribution :   0   5304.28647345  1      0.00330809
                               2     -0.00158350  3     -0.00442454
                               4     -0.00653181  5      0.00073122
                               6     -0.00002232
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.27795060

     ex.-cor. contribution :   0   -339.80870755  1      0.01194508
                               2     -0.00382189  3     -0.01369258
                               4     -0.01400225  5      0.00204447
                               6     -0.00003579
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82627050

     eff. pot. contribution     : -10307.04739567
     total double counting contribution                 :  -5342.59571557

   Total contribution of atom 19 =-13580.34215341
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64119280 p = -1150.94999161
                                d =  -209.39949091
       valence  contribution :  s =    -0.59783044 p =    -0.21695981
                                d =    -0.01328770 f =    -0.00347032
                                ns      0.00004312
     single particle energies  spin  up    
         core   contribution :  s = -2756.31281080 p = -1152.46155353
                                d =  -211.07599422
       valence  contribution :  s =    -0.71518381 p =    -0.34001094
                                d =    -0.01499519 f =    -0.00381996
                                ns      0.00028033
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.74626859
                                   band energy per atom :   -1.9052347105

     coulomb  contribution :   0   5304.28860778  1      0.00328588
                               2     -0.00157161  3     -0.00442147
                               4     -0.00653537  5      0.00073074
                               6     -0.00002214
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.28007382

     ex.-cor. contribution :   0   -339.80884190  1      0.01193912
                               2     -0.00380076  3     -0.01368389
                               4     -0.01401535  5      0.00204503
                               6     -0.00003562
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82639336

     eff. pot. contribution     : -10307.04990744
     total double counting contribution                 :  -5342.59622699

   Total contribution of atom 20 =-13580.34249557
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64119279 p = -1150.94999161
                                d =  -209.39949092
       valence  contribution :  s =    -0.59783044 p =    -0.21695981
                                d =    -0.01328770 f =    -0.00347032
                                ns      0.00004312
     single particle energies  spin  up    
         core   contribution :  s = -2756.31281081 p = -1152.46155353
                                d =  -211.07599422
       valence  contribution :  s =    -0.71518381 p =    -0.34001094
                                d =    -0.01499519 f =    -0.00381996
                                ns      0.00028033
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.74626860
                                   band energy per atom :   -1.9052347111

     coulomb  contribution :   0   5304.28860755  1      0.00328588
                               2     -0.00157161  3     -0.00442147
                               4     -0.00653537  5      0.00073074
                               6     -0.00002214
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.28007358

     ex.-cor. contribution :   0   -339.80884190  1      0.01193912
                               2     -0.00380075  3     -0.01368858
                               4     -0.01401188  5      0.00204503
                               6     -0.00003562
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82639458

     eff. pot. contribution     : -10307.04990719
     total double counting contribution                 :  -5342.59622819

   Total contribution of atom 21 =-13580.34249678
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.59816650 p = -1150.84981625
                                d =  -209.27649994
       valence  contribution :  s =    -0.58072122 p =    -0.19804747
                                d =    -0.01155741 f =    -0.00312414
                                ns     -0.00901665
     single particle energies  spin  up    
         core   contribution :  s = -2756.26981599 p = -1152.36150763
                                d =  -210.95450329
       valence  contribution :  s =    -0.70274078 p =    -0.32656209
                                d =    -0.01326071 f =    -0.00350180
                                ns     -0.00978426
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.16862613
                                   band energy per atom :   -1.8583165300

     coulomb  contribution :   0   5315.90551217  1      0.00006095
                               2     -0.00393866  3     -0.00001221
                               4     -0.00778151  5      0.00000201
                               6      0.00002570
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.89386844

     ex.-cor. contribution :   0   -339.83154794  1     -0.00003238
                               2     -0.00967374  3     -0.00075600
                               4     -0.04007789  5     -0.00000037
                               6      0.00015884
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88192949

     eff. pot. contribution     : -10319.33478142
     total double counting contribution                 :  -5343.32284247

   Total contribution of atom 22 =-13580.49146859
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.59812341 p = -1150.84972073
                                d =  -209.27639690
       valence  contribution :  s =    -0.58071366 p =    -0.19804072
                                d =    -0.01155667 f =    -0.00312353
                                ns     -0.00901780
     single particle energies  spin  up    
         core   contribution :  s = -2756.26977278 p = -1152.36141157
                                d =  -210.95439922
       valence  contribution :  s =    -0.70273274 p =    -0.32654760
                                d =    -0.01326120 f =    -0.00350177
                                ns     -0.00978455
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.16810483
                                   band energy per atom :   -1.8582802307

     coulomb  contribution :   0   5315.90869299  1      0.00006095
                               2     -0.00393649  3     -0.00001231
                               4     -0.00778085  5      0.00000199
                               6      0.00002569
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.89705196

     ex.-cor. contribution :   0   -339.83163495  1     -0.00003242
                               2     -0.00967299  3     -0.00073313
                               4     -0.04003522  5     -0.00000037
                               6      0.00015891
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88195018

     eff. pot. contribution     : -10319.33856545
     total double counting contribution                 :  -5343.32346366

   Total contribution of atom 23 =-13580.49156850
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.59812348 p = -1150.84972073
                                d =  -209.27639690
       valence  contribution :  s =    -0.58071366 p =    -0.19804072
                                d =    -0.01155667 f =    -0.00312353
                                ns     -0.00901780
     single particle energies  spin  up    
         core   contribution :  s = -2756.26977268 p = -1152.36141157
                                d =  -210.95439922
       valence  contribution :  s =    -0.70273274 p =    -0.32654760
                                d =    -0.01326120 f =    -0.00350177
                                ns     -0.00978455
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.16810481
                                   band energy per atom :   -1.8582802312

     coulomb  contribution :   0   5315.90869280  1      0.00006095
                               2     -0.00393649  3     -0.00001231
                               4     -0.00778085  5      0.00000199
                               6      0.00002569
     --------------------------------------------------------------------
     tot. coulomb contribution :   5315.89705177

     ex.-cor. contribution :   0   -339.83163489  1     -0.00003242
                               2     -0.00967298  3     -0.00072978
                               4     -0.04005332  5     -0.00000037
                               6      0.00015891
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88196485

     eff. pot. contribution     : -10319.33856525
     total double counting contribution                 :  -5343.32347833

   Total contribution of atom 24 =-13580.49158314
                                   sum of band energies :  -31.4567413597
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.78911360
                                eV  : -3231102.51472180
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:10:07:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           11
25.03.2020 20:10:07:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:13:39:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   2.402185574751619E-010  4.317124792722884E-006
  0.741979687062379     
 magnetic moment2 is   2.402181759782987E-010  4.317124793193706E-006
 -0.208981726447932     
 magnetic moment is   6.267442294316528E-011 -1.814840323522808E-003
  5.237829745173028E-002
 magnetic moment2 is   6.267442294316528E-011 -1.814840323522808E-003
 -1.940489375003857E-002
 magnetic moment is  -1.569539348345272E-003  9.125707013320867E-004
  5.238857112614326E-002
 magnetic moment2 is  -1.569539348345272E-003  9.125707013320867E-004
 -1.940845924668305E-002
 magnetic moment is   1.569539273100602E-003  9.125705255978197E-004
  5.238857129515961E-002
 magnetic moment2 is   1.569539273100602E-003  9.125705255978197E-004
 -1.940845942350058E-002
 magnetic moment is  -2.057326899986001E-011  4.497031996095280E-005
  5.607183597290877E-002
 magnetic moment2 is  -2.057326899986001E-011  4.497031996095280E-005
 -2.403127375083348E-002
 magnetic moment is   4.627263371441540E-005 -2.921949203299511E-005
  5.601802955828894E-002
 magnetic moment2 is   4.627263371441540E-005 -2.921949203299511E-005
 -2.407654158694056E-002
 magnetic moment is  -4.627237395233750E-005 -2.921931406604501E-005
  5.601803079468876E-002
 magnetic moment2 is  -4.627237395233750E-005 -2.921931406604501E-005
 -2.407654063056948E-002
 magnetic moment is  -4.966085547684791E-011 -1.554107663100196E-006
  5.484262114016569E-002
 magnetic moment2 is  -4.966085547684791E-011 -1.554107663100196E-006
 -2.574787509554596E-002
 magnetic moment is  -2.721836558222668E-010 -3.400655438713047E-003
  0.189071471355394     
 magnetic moment2 is  -2.722000853883078E-010 -3.406307825669815E-003
 -0.132816109748330     
 magnetic moment is  -2.948669979304418E-003  1.697800426731996E-003
  0.189016347737564     
 magnetic moment2 is  -2.953566374791663E-003  1.700622852239489E-003
 -0.132874236548803     
 magnetic moment is   2.948670315883108E-003  1.697800604841055E-003
  0.189016349778487     
 magnetic moment2 is   2.953566711613972E-003  1.700623030190262E-003
 -0.132874234767123     
 magnetic moment is   2.325285635487624E-011  3.210869521816453E-007
  6.389384808818488E-002
 magnetic moment2 is   2.325285635487624E-011  3.210869521816453E-007
 -1.456266423987677E-002
 magnetic moment is   1.236663456100767E-010  9.631354378687265E-004
  0.326961175377798     
 magnetic moment2 is   1.236646193433777E-010  9.646325702264077E-004
  2.351614936478764E-002
 magnetic moment is   8.344192101574304E-004 -4.837843628729422E-004
  0.326924966736993     
 magnetic moment2 is   8.357271838961657E-004 -4.845430791275935E-004
  2.348322393277266E-002
 magnetic moment is  -8.344191077471115E-004 -4.837843990116851E-004
  0.326924965987403     
 magnetic moment2 is  -8.357270817137219E-004 -4.845431152442327E-004
  2.348322320425345E-002
 magnetic moment is  -1.112839036086369E-004  1.122963879257933E-003
  0.296139622649314     
 magnetic moment2 is  -1.112931981721822E-004  1.122951026969352E-003
 -5.170660972251828E-003
 magnetic moment is   9.202709677728607E-004 -6.559135882306822E-004
  0.296065135956674     
 magnetic moment2 is   9.202558170655348E-004 -6.559131404405673E-004
 -5.247161478398432E-003
 magnetic moment is  -9.202708516547436E-004 -6.559133539104101E-004
  0.296065136870079     
 magnetic moment2 is  -9.202557009742184E-004 -6.559129061187806E-004
 -5.247160565245573E-003
 magnetic moment is   1.112843111005510E-004  1.122964026129881E-003
  0.296139618579558     
 magnetic moment2 is   1.112936056291041E-004  1.122951173853874E-003
 -5.170664909889308E-003
 magnetic moment is   1.025101016257498E-003 -4.637443438926063E-004
  0.296143895271658     
 magnetic moment2 is   1.025090803973441E-003 -4.637378258032236E-004
 -5.167771145355049E-003
 magnetic moment is  -1.025100528731210E-003 -4.637446152370411E-004
  0.296143900285084     
 magnetic moment2 is  -1.025090316464728E-003 -4.637380971492982E-004
 -5.167766266036974E-003
 magnetic moment is  -2.346808569957809E-010 -4.760478953685771E-005
  0.308220535417612     
 magnetic moment2 is  -2.347293606773208E-010 -4.786693046652911E-005
 -1.478841477974875E-002
 magnetic moment is  -3.625831286701149E-005  2.678650220842491E-005
  0.308169352631363     
 magnetic moment2 is  -3.625618849824891E-005  2.678530878894058E-005
 -1.483834800172139E-002
 magnetic moment is   3.625826074980462E-005  2.678669394587130E-005
  0.308169358021987     
 magnetic moment2 is   3.625613637978171E-005  2.678550052661146E-005
 -1.483834271353604E-002
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.36193002  0.39990041    0.0380
          p =  0.09786340  0.12341863    0.0256
          d =  3.52632186  4.20122231    0.6749
          f =  0.00901323  0.00999062    0.0010
          ns  -0.02136785 -0.01879162    0.0026
          ------------------------------------
          TOT  3.97376067  4.71574035    0.7420
                           8.68950102
   ========================== 
      2   s =  0.23842650  0.26063311    0.0222
          p =  0.31009603  0.33290018    0.0228
          d =  0.16370067  0.17802580    0.0143
          f =  0.05967821  0.06954900    0.0099
          ns  -0.11618073 -0.13300912   -0.0168
          ------------------------------------
          TOT  0.65572068  0.70809897    0.0524
                           1.36381965
   ========================== 
      3   s =  0.23829833  0.26054174    0.0222
          p =  0.30979127  0.33261089    0.0228
          d =  0.16353177  0.17782142    0.0143
          f =  0.05962123  0.06946865    0.0098
          ns  -0.11593268 -0.13274423   -0.0168
          ------------------------------------
          TOT  0.65530991  0.70769848    0.0524
                           1.36300840
   ========================== 
      4   s =  0.23829833  0.26054174    0.0222
          p =  0.30979127  0.33261089    0.0228
          d =  0.16353177  0.17782142    0.0143
          f =  0.05962123  0.06946865    0.0098
          ns  -0.11593268 -0.13274423   -0.0168
          ------------------------------------
          TOT  0.65530991  0.70769848    0.0524
                           1.36300839
   ========================== 
      5   s =  0.15599074  0.17835113    0.0224
          p =  0.20653232  0.22724856    0.0207
          d =  0.10641144  0.11773794    0.0113
          f =  0.03625665  0.04171904    0.0055
          ns  -0.02361998 -0.02741366   -0.0038
          ------------------------------------
          TOT  0.48157117  0.53764301    0.0561
                           1.01921418
   ========================== 
      6   s =  0.15592460  0.17826440    0.0223
          p =  0.20652824  0.22721525    0.0207
          d =  0.10645263  0.11776969    0.0113
          f =  0.03626706  0.04173117    0.0055
          ns  -0.02362024 -0.02741019   -0.0038
          ------------------------------------
          TOT  0.48155230  0.53757033    0.0560
                           1.01912263
   ========================== 
      7   s =  0.15592460  0.17826440    0.0223
          p =  0.20652824  0.22721525    0.0207
          d =  0.10645263  0.11776969    0.0113
          f =  0.03626706  0.04173117    0.0055
          ns  -0.02362024 -0.02741019   -0.0038
          ------------------------------------
          TOT  0.48155230  0.53757033    0.0560
                           1.01912263
   ========================== 
      8   s =  0.20803778  0.22999142    0.0220
          p =  0.28169770  0.30289491    0.0212
          d =  0.14158041  0.15584790    0.0143
          f =  0.03924116  0.04767786    0.0084
          ns  -0.04105041 -0.05206282   -0.0110
          ------------------------------------
          TOT  0.62950664  0.68434927    0.0548
                           1.31385591
   ========================== 
      9   s =  0.79686768  0.85419227    0.0573
          p =  0.78026299  0.90457876    0.1243
          d =  0.08614507  0.09130294    0.0052
          f =  0.02061740  0.02226731    0.0016
          ns   0.01039562  0.01101895    0.0006
          ------------------------------------
          TOT  1.69428876  1.88336023    0.1891
                           3.57764899
   ========================== 
     10   s =  0.79690272  0.85420721    0.0573
          p =  0.77994228  0.90421432    0.1243
          d =  0.08614445  0.09130860    0.0052
          f =  0.02062778  0.02227805    0.0017
          ns   0.01041416  0.01103956    0.0006
          ------------------------------------
          TOT  1.69403138  1.88304773    0.1890
                           3.57707911
   ========================== 
     11   s =  0.79690272  0.85420721    0.0573
          p =  0.77994228  0.90421432    0.1243
          d =  0.08614445  0.09130860    0.0052
          f =  0.02062778  0.02227805    0.0017
          ns   0.01041416  0.01103956    0.0006
          ------------------------------------
          TOT  1.69403138  1.88304773    0.1890
                           3.57707912
   ========================== 
     12   s =  0.22838836  0.25547387    0.0271
          p =  0.30473029  0.33301428    0.0283
          d =  0.15655119  0.17459473    0.0180
          f =  0.05008149  0.05923503    0.0092
          ns  -0.11067022 -0.12934295   -0.0187
          ------------------------------------
          TOT  0.62908111  0.69297496    0.0639
                           1.32205607
   ========================== 
     13   s =  0.84278188  0.86573282    0.0230
          p =  1.20056157  1.50514664    0.3046
          d =  0.05024652  0.05123749    0.0010
          f =  0.01190250  0.01205086    0.0001
          ns   0.00255487  0.00084071   -0.0017
          ------------------------------------
          TOT  2.10804734  2.43500852    0.3270
                           4.54305586
   ========================== 
     14   s =  0.84276232  0.86572321    0.0230
          p =  1.20059645  1.50513636    0.3045
          d =  0.05024889  0.05123968    0.0010
          f =  0.01190379  0.01205107    0.0001
          ns   0.00256655  0.00085265   -0.0017
          ------------------------------------
          TOT  2.10807800  2.43500297    0.3269
                           4.54308097
   ========================== 
     15   s =  0.84276232  0.86572321    0.0230
          p =  1.20059645  1.50513636    0.3045
          d =  0.05024889  0.05123968    0.0010
          f =  0.01190379  0.01205107    0.0001
          ns   0.00256655  0.00085265   -0.0017
          ------------------------------------
          TOT  2.10807800  2.43500297    0.3269
                           4.54308097
   ========================== 
     16   s =  0.84429683  0.86677298    0.0225
          p =  1.23557793  1.50842061    0.2728
          d =  0.04999806  0.05181698    0.0018
          f =  0.01170753  0.01223100    0.0005
          ns   0.00425873  0.00273715   -0.0015
          ------------------------------------
          TOT  2.14583909  2.44197871    0.2961
                           4.58781780
   ========================== 
     17   s =  0.84426400  0.86674265    0.0225
          p =  1.23561598  1.50837774    0.2728
          d =  0.05000185  0.05182247    0.0018
          f =  0.01170459  0.01222886    0.0005
          ns   0.00426782  0.00274764   -0.0015
          ------------------------------------
          TOT  2.14585423  2.44191937    0.2961
                           4.58777359
   ========================== 
     18   s =  0.84426400  0.86674265    0.0225
          p =  1.23561598  1.50837774    0.2728
          d =  0.05000185  0.05182247    0.0018
          f =  0.01170459  0.01222886    0.0005
          ns   0.00426782  0.00274764   -0.0015
          ------------------------------------
          TOT  2.14585423  2.44191937    0.2961
                           4.58777360
   ========================== 
     19   s =  0.84429683  0.86677298    0.0225
          p =  1.23557794  1.50842061    0.2728
          d =  0.04999806  0.05181698    0.0018
          f =  0.01170753  0.01223100    0.0005
          ns   0.00425873  0.00273715   -0.0015
          ------------------------------------
          TOT  2.14583909  2.44197871    0.2961
                           4.58781781
   ========================== 
     20   s =  0.84425658  0.86674361    0.0225
          p =  1.23569690  1.50852781    0.2728
          d =  0.05000410  0.05182744    0.0018
          f =  0.01170664  0.01222895    0.0005
          ns   0.00426005  0.00274035   -0.0015
          ------------------------------------
          TOT  2.14592427  2.44206817    0.2961
                           4.58799244
   ========================== 
     21   s =  0.84425658  0.86674361    0.0225
          p =  1.23569689  1.50852781    0.2728
          d =  0.05000410  0.05182744    0.0018
          f =  0.01170664  0.01222895    0.0005
          ns   0.00426005  0.00274035   -0.0015
          ------------------------------------
          TOT  2.14592427  2.44206817    0.2961
                           4.58799244
   ========================== 
     22   s =  0.83474230  0.86059415    0.0259
          p =  1.26428233  1.54592836    0.2816
          d =  0.04753965  0.05059970    0.0031
          f =  0.01205749  0.01242738    0.0004
          ns   0.02429556  0.02158828   -0.0027
          ------------------------------------
          TOT  2.18291733  2.49113787    0.3082
                           4.67405520
   ========================== 
     23   s =  0.83474587  0.86059766    0.0259
          p =  1.26432378  1.54591767    0.2816
          d =  0.04754094  0.05060095    0.0031
          f =  0.01205642  0.01242939    0.0004
          ns   0.02429831  0.02158899   -0.0027
          ------------------------------------
          TOT  2.18296532  2.49113467    0.3082
                           4.67409999
   ========================== 
     24   s =  0.83474587  0.86059766    0.0259
          p =  1.26432378  1.54591767    0.2816
          d =  0.04754094  0.05060095    0.0031
          f =  0.01205642  0.01242939    0.0004
          ns   0.02429831  0.02158899   -0.0027
          ------------------------------------
          TOT  2.18296531  2.49113467    0.3082
                           4.67409998
 
############################################
 
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.689498
       spin moment in wigner seitz cell =    0.741980
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -0.310502
                              spin magnetic moment =     0.741980
 
  Atom    2 charge in wigner seitz cell =    1.363817
       spin moment in wigner seitz cell =    0.052378
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.363817
                              spin magnetic moment =     0.052378
 
  Atom    3 charge in wigner seitz cell =    1.363006
       spin moment in wigner seitz cell =    0.052388
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.363006
                              spin magnetic moment =     0.052388
 
  Atom    4 charge in wigner seitz cell =    1.363006
       spin moment in wigner seitz cell =    0.052388
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.363006
                              spin magnetic moment =     0.052388
 
  Atom    5 charge in wigner seitz cell =    1.019213
       spin moment in wigner seitz cell =    0.056072
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.019213
                              spin magnetic moment =     0.056072
 
  Atom    6 charge in wigner seitz cell =    1.019122
       spin moment in wigner seitz cell =    0.056018
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.019122
                              spin magnetic moment =     0.056018
 
  Atom    7 charge in wigner seitz cell =    1.019122
       spin moment in wigner seitz cell =    0.056018
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.019122
                              spin magnetic moment =     0.056018
 
  Atom    8 charge in wigner seitz cell =    1.313852
       spin moment in wigner seitz cell =    0.054842
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.313852
                              spin magnetic moment =     0.054842
 
  Atom    9 charge in wigner seitz cell =   49.577646
       spin moment in wigner seitz cell =    0.189071
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.422354
                              spin magnetic moment =     0.189071
 
  Atom   10 charge in wigner seitz cell =   49.577076
       spin moment in wigner seitz cell =    0.189016
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.422924
                              spin magnetic moment =     0.189016
 
  Atom   11 charge in wigner seitz cell =   49.577076
       spin moment in wigner seitz cell =    0.189016
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.422924
                              spin magnetic moment =     0.189016
 
  Atom   12 charge in wigner seitz cell =    1.322054
       spin moment in wigner seitz cell =    0.063894
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =     1.322054
                              spin magnetic moment =     0.063894
 
  Atom   13 charge in wigner seitz cell =   50.543053
       spin moment in wigner seitz cell =    0.326961
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.456947
                              spin magnetic moment =     0.326961
 
  Atom   14 charge in wigner seitz cell =   50.543079
       spin moment in wigner seitz cell =    0.326925
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.456921
                              spin magnetic moment =     0.326925
 
  Atom   15 charge in wigner seitz cell =   50.543079
       spin moment in wigner seitz cell =    0.326925
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.456921
                              spin magnetic moment =     0.326925
 
  Atom   16 charge in wigner seitz cell =   50.587815
       spin moment in wigner seitz cell =    0.296140
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.412185
                              spin magnetic moment =     0.296140
 
  Atom   17 charge in wigner seitz cell =   50.587771
       spin moment in wigner seitz cell =    0.296065
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.412229
                              spin magnetic moment =     0.296065
 
  Atom   18 charge in wigner seitz cell =   50.587771
       spin moment in wigner seitz cell =    0.296065
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.412229
                              spin magnetic moment =     0.296065
 
  Atom   19 charge in wigner seitz cell =   50.587815
       spin moment in wigner seitz cell =    0.296140
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.412185
                              spin magnetic moment =     0.296140
 
  Atom   20 charge in wigner seitz cell =   50.587990
       spin moment in wigner seitz cell =    0.296144
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.412010
                              spin magnetic moment =     0.296144
 
  Atom   21 charge in wigner seitz cell =   50.587990
       spin moment in wigner seitz cell =    0.296144
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.412010
                              spin magnetic moment =     0.296144
 
  Atom   22 charge in wigner seitz cell =   50.674053
       spin moment in wigner seitz cell =    0.308221
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.325947
                              spin magnetic moment =     0.308221
 
  Atom   23 charge in wigner seitz cell =   50.674098
       spin moment in wigner seitz cell =    0.308169
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.325902
                              spin magnetic moment =     0.308169
 
  Atom   24 charge in wigner seitz cell =   50.674098
       spin moment in wigner seitz cell =    0.308169
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  11 charge neutrality in unit cell =    -1.325902
                              spin magnetic moment =     0.308169
 
                    TOTAL mag. moment in unit cell =     5.435150
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:13:40:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:40:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  2.5545D-01  ,  v+ - v- =  3.6770D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.5800D-01  ,  v+ - v- =  3.7592D-03
      rms-error for atom  2 :v+ + v- =  4.7367D-02  ,  v+ - v- =  4.1701D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  4.9057D-02  ,  v+ - v- =  1.5029D-03
      rms-error for atom  3 :v+ + v- =  4.7657D-02  ,  v+ - v- =  4.1699D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  4.9576D-02  ,  v+ - v- =  1.5068D-03
      rms-error for atom  4 :v+ + v- =  4.7657D-02  ,  v+ - v- =  4.1699D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  4.9576D-02  ,  v+ - v- =  1.5068D-03
      rms-error for atom  5 :v+ + v- =  7.5223D-02  ,  v+ - v- =  4.9092D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  3.6447D-02  ,  v+ - v- =  9.1667D-04
      rms-error for atom  6 :v+ + v- =  7.5047D-02  ,  v+ - v- =  4.9094D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  3.6794D-02  ,  v+ - v- =  9.1804D-04
      rms-error for atom  7 :v+ + v- =  7.5047D-02  ,  v+ - v- =  4.9094D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  3.6794D-02  ,  v+ - v- =  9.1804D-04
      rms-error for atom  8 :v+ + v- =  6.3384D-02  ,  v+ - v- =  4.5552D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  4.1563D-02  ,  v+ - v- =  1.5094D-03
      rms-error for atom  9 :v+ + v- =  7.9146D-02  ,  v+ - v- =  4.8696D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  3.7580D-02  ,  v+ - v- =  9.5030D-04
      rms-error for atom 10 :v+ + v- =  7.9260D-02  ,  v+ - v- =  4.8697D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  3.7720D-02  ,  v+ - v- =  9.4949D-04
      rms-error for atom 11 :v+ + v- =  7.9260D-02  ,  v+ - v- =  4.8697D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  3.7720D-02  ,  v+ - v- =  9.4949D-04
      rms-error for atom 12 :v+ + v- =  9.1102D-02  ,  v+ - v- =  4.1124D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  2.8239D-02  ,  v+ - v- =  1.3653D-03
      rms-error for atom 13 :v+ + v- =  9.6317D-02  ,  v+ - v- =  3.9585D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  2.9892D-02  ,  v+ - v- =  1.0623D-03
      rms-error for atom 14 :v+ + v- =  9.6418D-02  ,  v+ - v- =  3.9586D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  3.0040D-02  ,  v+ - v- =  1.0635D-03
      rms-error for atom 15 :v+ + v- =  9.6418D-02  ,  v+ - v- =  3.9586D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  3.0040D-02  ,  v+ - v- =  1.0635D-03
      rms-error for atom 16 :v+ + v- =  8.3055D-02  ,  v+ - v- =  3.9954D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.7815D-02  ,  v+ - v- =  1.1296D-03
      rms-error for atom 17 :v+ + v- =  8.2933D-02  ,  v+ - v- =  3.9955D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.7805D-02  ,  v+ - v- =  1.1167D-03
      rms-error for atom 18 :v+ + v- =  8.2933D-02  ,  v+ - v- =  3.9955D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.7805D-02  ,  v+ - v- =  1.1167D-03
      rms-error for atom 19 :v+ + v- =  8.3055D-02  ,  v+ - v- =  3.9954D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.7815D-02  ,  v+ - v- =  1.1296D-03
      rms-error for atom 20 :v+ + v- =  8.3020D-02  ,  v+ - v- =  3.9954D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.7795D-02  ,  v+ - v- =  1.1395D-03
      rms-error for atom 21 :v+ + v- =  8.3020D-02  ,  v+ - v- =  3.9954D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.7795D-02  ,  v+ - v- =  1.1395D-03
      rms-error for atom 22 :v+ + v- =  8.6125D-02  ,  v+ - v- =  4.3557D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.7395D-02  ,  v+ - v- =  7.8921D-04
      rms-error for atom 23 :v+ + v- =  8.6078D-02  ,  v+ - v- =  4.3558D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.7434D-02  ,  v+ - v- =  7.8963D-04
      rms-error for atom 24 :v+ + v- =  8.6078D-02  ,  v+ - v- =  4.3558D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.7434D-02  ,  v+ - v- =  7.8963D-04
      ITERATION  11 average rms-error : v+ + v- =  1.0493D-01
                                        v+ - v- =  4.3154D-02
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.428195907452419E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.796508815461759E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.323607353999625E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.916937382525572E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.521486192072874E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  2.123318453239286E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.172734987074338E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.532970392074487E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.109004435225267E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.332623339436310E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.543429653100355E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.640341298410906E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.724601897620100E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.530352645070287E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.934303197983300E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  5.129785814376777E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.449113104798316E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.422474034994392E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.513449755167282E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.413804610066237E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.361703266776342E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.030612967279741E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.445393287334371E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.041237828970068E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.048065227993055E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.719664671408206E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.283238989694717E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.149478002216588E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  9.104102245509621E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.697634963896259E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.277790057534024E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.292564257297109E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.174455352866730E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  9.009914844833855E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  7.002335056119923E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  6.971473629118508E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.745581654194349E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.565398443641346E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  4.661463573832051E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.595191019486824E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  6.691988903798736E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.878488189335712E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.139052753042920E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.445418464251964E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.222600687676208E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.958799902720789E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.798055806061603E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.069426627175921E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  6.271308218451987E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  7.269355565082371E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.809850576829825E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.639126765425294E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.118018200987997E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.105808170005014E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  1.099636845014901E-003
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  1.031042113719934E-010
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.047691037862830E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.068592440157644E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  6.044410246717225E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.604403855771479E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.397550474343778E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  9.371462785083317E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  2.878993813040610E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  6.354291920112844E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  1.101280286452170E-003
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  8.240168405751287E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  1.001276079107851E-003
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  3.639795902099718E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  6.309347870423236E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  7.995011309856139E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  3.610539967816446E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  6.737933020584661E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  5.504973116405873E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  5.246470317754234E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  6.535684790296882E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  3.014822746818367E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  4.235170888431482E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  5.853129822160349E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  9.523202479702344E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  9.371462050474988E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  2.878604964570067E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  6.354291706254192E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  1.101280386505773E-003
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  8.234018724915909E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  1.001276034889075E-003
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  3.639795746584822E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  6.309347716866631E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  7.995010948368507E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  3.611160140298737E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  6.736835687221629E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  5.504973024106828E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  5.246470416293080E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  6.535684482690165E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  3.014822628243802E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  4.234962775930615E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  5.853129506633110E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  9.523203479518200E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  9.628491651605531E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  3.185795609065659E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.036215523234949E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  1.209901294663880E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  5.260455158244539E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  1.318182820875526E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  1.227235706971876E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  7.212073218682714E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.318041554444532E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.955438549034349E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  1.058198678123870E-003
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.443110649616154E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  6.602335826265154E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.120653886536288E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  9.671687206152302E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.631036296003718E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  9.323989901688260E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  4.146899152398035E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  2.937746269651252E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.430704792153456E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.696800742319988E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  1.129277626451037E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.264354049942158E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.297384520065088E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.890054293327783E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  3.709876778589824E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  6.788730580355230E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  1.073171711665155E-003
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.815726141166993E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  9.581881910470625E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.641392495669196E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  1.209821068497028E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  4.291081463655234E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  1.320127380728391E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  9.606228199933948E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  5.882775609238296E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  8.360115885498277E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  5.701777863757412E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  5.285892463580836E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  9.147907412190865E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  3.296082303685144E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.394280944578312E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  4.827493175455431E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  4.722689589896331E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  9.331060098181768E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  2.939688181533981E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  3.957624258308211E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.316861992360339E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.222099608100707E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  6.733002886504042E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  8.297855230362287E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  9.275708529120711E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.852456670753939E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  3.223176817717608E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  5.362497238228939E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.445531697395541E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  4.790016887185535E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  1.166171489368650E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  1.209821024588158E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  4.291081187680719E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  1.320127333975933E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  9.606227950009262E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  5.882739486523852E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  8.360117182781802E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  5.701778562902722E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  5.285892324398239E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  9.147908928680701E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  3.296082267921119E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.394987757006766E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  4.827493096445161E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  4.722689366674568E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  9.331059832136486E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  2.939688014565315E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  3.957624013536270E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.316853133620655E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.223420648618225E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  6.733002761618982E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  8.297857641957941E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  9.275709104318165E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.852456560049621E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  3.223178346766925E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  5.362497112200558E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.445453822432102E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  4.790016741243981E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  1.166171754256695E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.162989015246815E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.454178289347308E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.487959440246393E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  6.888580480879130E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.594454162612413E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.442946830037232E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.034389392408981E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.760260876225762E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.141501580683534E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.211268976151813E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.145574986240099E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.556844224869761E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.702274455974440E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  8.775319905712801E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.906259600025049E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.818251545406612E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.724651047929231E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.757852398436984E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.969907162669953E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.233341641864546E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.471362186829288E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.406589722379035E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.282669276305384E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.186953772012377E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.275041637709348E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.649860159173266E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.234802923688799E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164291224115433E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.135199007551238E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.000549800433964E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.772515570280184E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.327836664886625E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.026937888330807E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.587645020918047E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.449426780889936E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.401481205238671E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.227471135896709E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.733687319778022E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  1.107582787706334E-010
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.937690206448911E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  6.821748466404695E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  7.180892063821969E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  1.905070695342324E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  1.802056583606587E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.565699329158582E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.440894055075640E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  6.327287113961694E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  7.623490133597800E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  7.155298333180489E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  8.472772785925260E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  6.085135839856604E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  5.572242965470172E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  6.680862740881730E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  7.659784403633577E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.053227511702611E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  5.517498333990824E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.268108410736618E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  8.102812315430169E-012
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  8.953399713039613E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  3.510561011529360E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.378367155793979E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  6.762883933188951E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  9.651117347438036E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.613657892325270E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  7.147417321571365E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.888352964633921E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  4.637046792633556E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  4.832336082813419E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  3.606310356650870E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  6.202351208754954E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.049158935475912E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  5.270536311740134E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  6.177813331265493E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  3.157843007565680E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  5.478923120948395E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  3.570429161184873E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.559439552563239E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  3.029681740372146E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  2.758117605644612E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  4.792083625688827E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  7.168839116703255E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  2.745287150003467E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.590982801634871E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  6.584418945112235E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  4.832844969925917E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.274269439044161E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.765327431586719E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  4.025120212120357E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  6.181113649294701E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  4.822926975832780E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  8.360770242614108E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  3.576872554662380E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.761269976858259E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  2.314153122363849E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  3.035989398596760E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  3.606310038538390E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  6.202350960978624E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.049251054677105E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  5.270536788780113E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  6.177814206573863E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  3.157842840969152E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  5.478924291231718E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  3.570428909642770E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.559615817840006E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  3.029681488319923E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  2.758117502122291E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  4.792083948893530E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  7.168838840064201E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  2.745287170603012E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.591013570942939E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  6.584418694141156E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  4.832845341994039E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.275279695387515E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.765327515266979E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  4.025121354455588E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  6.181112967635970E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  4.822926822233494E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  8.360770326636146E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  3.576872453204438E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.761986680197006E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  2.314152969449973E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  3.035987937188682E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  7.242941316571215E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.199294174853721E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.689470632439446E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  3.476077467779562E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.035699771726660E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  6.313954627870676E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.753130980052316E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  1.049783266356735E-006
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.850183476777516E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.636745073668602E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.380476020122806E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.951822828404474E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.022142381126111E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  6.937869073582277E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.911967479336473E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.162965468268967E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.189085036333333E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  1.035681837243365E-006
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.224933665237243E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.928114624793430E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  5.036107380096831E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.661863142984033E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.655435643007268E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  3.206783160669686E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.206527169705565E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  2.066650231896752E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.560836690114855E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.289004894250841E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  4.895920501425267E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.093202211680746E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.317167706162624E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.828166125434170E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  9.051207740607352E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.545123613570589E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.038219448273286E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  9.884970194415433E-007
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.373030898420770E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  5.138637432537788E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.299481548285462E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.115803578825778E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  6.781531049878854E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.807289495196536E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  9.436032894210666E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  9.109386753586666E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.395527738114027E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.267754934604421E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  7.858786568722097E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.669984588828462E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.587030497286322E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  2.132853403997577E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  1.147013253873797E-004
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.265618682601936E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.157067997585529E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.958532119191590E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.831559228917456E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  6.278719971865186E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.202594550133169E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  4.026393196193870E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.009493920664641E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.045106393187571E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  2.178436517034441E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.999039514572251E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.083647933189906E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  2.034861169278024E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.637983846103887E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  2.553193645859682E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.772425823492670E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  8.555837754875675E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  5.896469991468009E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  3.413755678735727E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  4.517233816377657E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.223760517997959E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.849677755670128E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  3.941597864229592E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  6.817698080072588E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  4.431198645331416E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.413499339135755E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  1.064908931394820E-004
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  5.804150078969158E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  3.493227053203261E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  5.455569165383657E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  9.874630630780630E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.696497918868509E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  3.146209652917128E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.185766031820887E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  2.019008968754121E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  9.961491145200358E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.821764943523876E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  1.091403811898068E-004
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  2.218207509155946E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  1.018646618790230E-004
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  1.766777418834534E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  1.279253353859812E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  3.901025461391232E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  2.793088827008716E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  1.893087617515991E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  5.896466398917597E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  3.413755548026073E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  4.517233739841213E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.223176209757525E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.849679158455852E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  3.941597671894173E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  6.817701045174219E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  4.431198519507596E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.413375537838354E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  1.064908879218535E-004
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  5.804149754848833E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  3.493226429073122E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  5.455570339020274E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  9.874629877696260E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.696498800759265E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  3.146209543858149E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.186888483014660E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  2.019008896290956E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  9.961480416886080E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.820361277939972E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  1.091403786786164E-004
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  2.218207902404365E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  1.018646590293930E-004
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  1.766777272761657E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  1.279253296315169E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  3.900000497251641E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  2.793088735121192E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  1.893087490119063E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  8.681618094402345E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.326730249991158E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  3.979217135809710E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  6.666593609161877E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.888353864123954E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  2.034327820318661E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.101268445590780E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  3.462164199504139E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  7.461405896609966E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  9.658158819519568E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  9.397755623891479E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  7.862209105185075E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.404429686809880E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  3.813199058266981E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.842521407771086E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.701562448317559E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  8.909395309769401E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  3.913751831668990E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  6.477959863093205E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  7.376765732057437E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  1.097989832514588E-004
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.829366908599883E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.992419958302216E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  8.717445845010194E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  1.187750703279276E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  5.220228610826191E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  7.656663517165827E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  8.674836364051778E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  5.090537708049515E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  2.464056413877565E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  3.480574200146804E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  3.435754431351825E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  4.595070881915615E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  1.315869785324590E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  5.926004248243614E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  2.142960461908484E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.251087110214967E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  6.560488630534794E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  3.694049808508720E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.361939295951184E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  1.072711293530001E-004
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  3.458330757251769E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.870623424630468E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  9.878494783029185E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  3.885242514436757E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  1.174670719886891E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  7.857179385148477E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  3.857544800214924E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  7.285366966808467E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  3.140883031683056E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  4.581143898542272E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  9.128673921677589E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  3.761410191460451E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  9.273439335633971E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  7.340669945159036E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.838599878419350E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  8.324834022009872E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.934610329467125E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  1.184995536082189E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  9.674054032076023E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  4.467658858542640E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  3.767728310197335E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  3.605389880570403E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  4.483282026031385E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  8.714719301962567E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  3.404374445445355E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  7.850838397721786E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  1.068803955620672E-004
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  5.925999089142691E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  2.142960404442594E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.251079917926962E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  6.560492386146905E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  3.694049571331523E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.361940180471943E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  1.072711369762231E-004
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  3.458328927841514E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.870620498223336E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  9.878501496811331E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  3.885242073397732E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  1.174667313752743E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  7.857177552293866E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  3.857558370110968E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  7.285365164760868E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  3.140882634081230E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  4.581153154202686E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  9.128651395208172E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  3.761408688431702E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  9.273426539833853E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  7.340669119213736E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.838613079990667E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  8.324831674795229E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.934608173565605E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  1.184993611863701E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  9.674052320441596E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  4.467661797648240E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  3.767721948642337E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  3.605389158141421E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  4.483271539545840E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  8.714717832480123E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  3.404364777731447E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  7.850836173861668E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  1.068802267498840E-004
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  8.681619314879480E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.326722979671815E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  3.979216834235180E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  6.666582757583131E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.888353920995660E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  2.034326628769701E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.101268553716146E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  3.462165444288241E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  7.461389382118021E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  9.658168079047087E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  9.397754660812427E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  7.862176671460876E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.404430360517920E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  3.813186019880537E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.842521130611139E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.701562225945803E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  8.909409632633398E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  3.913753864757113E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  6.477959702925531E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  7.376752522627121E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  1.097989717379427E-004
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.829353723331825E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.992419364822795E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  8.717428013578683E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  1.187752374258312E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  5.220228042175767E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  7.656669738783704E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  8.674829214544659E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  5.090536931270168E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  2.464060422594553E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  3.480573803126690E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  3.435763418565576E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  4.595070721628384E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  1.315868120307059E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.815575438479444E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.707121803591988E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.987277902508375E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.524652529669777E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.223711560088238E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.160858087465299E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  4.411321880955480E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.180103569551724E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  3.466900473878365E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  1.381311301161060E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  7.049653520815641E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  1.090394393210306E-004
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  5.027172508774719E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.103704987009574E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  3.858123347022710E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  1.390166573468889E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  1.558562473829055E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  5.679542463502669E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  1.015125125622762E-004
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  9.479949114555460E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  2.664832754987360E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  5.318849952445183E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.910744432639005E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  7.771701085395112E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  1.040289585463245E-004
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  1.185502913861364E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  1.342136767048260E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  6.498388985128144E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  6.645516192207839E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  2.953835040769478E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  4.666764082774739E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  6.805568841873909E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  3.419677445926780E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  6.423383270396853E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  4.615414009141653E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.815575408390058E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.707118574640787E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.987277837054683E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.524657718974609E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.223712372634106E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.160857951898344E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  4.411322856241933E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.180103611007611E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  3.466901930757053E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  1.381308687112024E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  7.049649926935340E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  1.090394401705847E-004
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  5.027148447605819E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.103705005962011E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  3.858110497195669E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  1.390166571380531E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  1.558562493264554E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  5.679524832384400E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  1.015123143904046E-004
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  9.479949346832787E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  2.664823819858755E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  5.318850089210945E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.910731446637849E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  7.771701018494707E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  1.040287615773546E-004
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  1.185504685358708E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  1.342136780430702E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  6.498382029058707E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  6.645521552626555E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  2.953835125276846E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  4.666752920634791E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  6.805568633508230E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  3.419686623101363E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  6.423382873097318E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  4.615422754424493E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  4.365249491556428E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.274099128736246E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.938132377931127E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  2.782701885258251E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.481161739048860E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  2.292253719768964E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  3.616921342355623E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  1.596254180299515E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  3.189688365411895E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  5.476313862889364E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.230854393565816E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.789196135003912E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  3.555559309794093E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.426041769828849E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.316694845905287E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.442830802316220E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  6.062194512381246E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  4.155457929617461E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  1.322800391486961E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  6.237385259450327E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.183467967448258E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  2.475572816837986E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  2.525857175027987E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  5.169169018491618E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  9.678318715915161E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  7.203675728132288E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  3.998308848398535E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  8.352274200788282E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.706204381720724E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  9.092702569798707E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.592330138711030E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.261659201157125E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  1.512840443544097E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.420361798650001E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  1.205707710120030E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.245474557246706E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  6.765691586200839E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.403641055870698E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  2.373252205796604E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  2.264500580552587E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  4.001563225410234E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.379101861396996E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.490336734562823E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.760239126311741E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.782912669727916E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  3.155490149137340E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.606325742596656E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  2.007604818199101E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  5.576382357108948E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.111563409175280E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.802479934620893E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  3.166582244140957E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  6.466149633644479E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.401585176329396E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  3.180220344689117E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  2.094937818578733E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  3.309058957541342E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  6.278902369118265E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  8.476470193081499E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  1.223926390353179E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  2.513834339569596E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  2.151987251271535E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.881806749987713E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.557414507493506E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  2.005494653672811E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  3.619473413962313E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.841293252794075E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  4.566826993337171E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  6.345879889608435E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  1.067842190117675E-004
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  7.623416537978574E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  1.341039952705559E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  6.154566695891112E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.676563468229025E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  3.597819786754535E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  7.905347150638552E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  2.373245644225663E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  2.264500422741652E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  4.001551359749753E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.379101876693202E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.490336778239393E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.760239389910320E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.782912625600727E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  3.155489876685241E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.606325757858200E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  2.007671739617165E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  5.576357441660338E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.111563509061424E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.802479860486793E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  3.166577441455177E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  6.466149614477061E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.402729966602360E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  3.180220173109342E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  2.094937844004704E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  3.309058141667037E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  6.278902960761452E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  8.476472745437999E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  1.223926374344301E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  2.513834097852247E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  2.151987190035799E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.881806556064846E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.557453894829744E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  2.005494854926429E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  3.619474004283738E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.841371572707163E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  4.566826987368979E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  6.345848550287135E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  1.067839656079582E-004
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  7.623416129608563E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  1.341039701394096E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  6.154566446792127E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.661284213542831E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  3.597819660759115E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  7.905318830098315E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.232470274645932E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.775905294488278E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  3.073787628402174E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.527000422249973E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.560125105349760E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.056170634944167E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.889105410083403E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.901785854310779E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.181791731953825E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  3.131503743321210E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.692597619531416E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.617586889083761E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.829443892357274E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.754937106012266E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.916013641590011E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.772367981915330E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.649425777704019E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  3.225169040975221E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.511394956117427E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.391660914894935E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.266314220806399E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  9.585150976439738E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  8.544010938634331E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  1.021286844372956E-006
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.570780634827524E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.461315034386112E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.151700920864127E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.120149292560297E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  6.652017818663913E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  7.978160489804776E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  4.033630325579285E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  1.045357077520781E-006
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.597348747331948E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.828982590531690E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  7.020674735088662E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.198158756014268E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  9.463350025831551E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.699025502559743E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  5.214584822072744E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  7.975682585093030E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.225711457354632E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.978746957565699E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.309194634299299E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.589641513544249E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.225150165451664E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.059781103853386E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  2.995454635979295E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.114433024659347E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  6.277341614905881E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  7.797944433744263E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  4.984004054514027E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.650991473336921E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  7.986550109216746E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.093641236562419E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  1.205825090726309E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.081091478871517E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.042459980353710E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.150133591158188E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  6.335369547141074E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.656367363873503E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.519362715637777E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  9.128921913855215E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.647485000604235E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  6.816865037903782E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  1.181955787472691E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.854789421977999E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  1.105646541944526E-003
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  3.896270015204064E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  6.755146151081124E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  8.008873260672438E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.717638199682533E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  5.638809316660515E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  6.037700365088228E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  5.499236113246696E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  6.784391746929247E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  3.161263821958829E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.305491682056853E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  6.062333592476628E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  1.044658541378374E-003
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  9.128921280233835E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.647051201431315E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  6.816864833311213E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  1.181955898126451E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.849681649387476E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  1.105646506852644E-003
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  3.896269884827640E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  6.755145912665055E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  8.008872928230161E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.717735200950419E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  5.637766068180332E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  6.037700272118095E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  5.499236266767677E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  6.784391466880222E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  3.161263712332406E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.305138729367907E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  6.062333308390175E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  1.044658651066737E-003
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  1.179797516232982E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  3.765896199242649E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.643934835265292E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  1.235163054371459E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  5.724883943128072E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  1.394427283213297E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.445862782825333E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  8.419451490732553E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.360728468285941E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.054629428075480E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  1.126971368689282E-003
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.482487389624089E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  7.118882325691877E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.208639279548233E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  1.008759704198524E-003
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.610929276890305E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  9.362501318794648E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  4.710116316875873E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  3.321155205005455E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.662915137573125E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.776578872530643E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.331508893676039E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.148169271531128E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.406738927384701E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.820194175909605E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  3.824313236866077E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  6.900619462645604E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  1.154429129219765E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.873072815445151E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  1.032914782061774E-003
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.821566681905562E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  1.234732802221786E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.854777236459337E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  1.396065045612083E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  9.846833667091195E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  6.991460693568881E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  8.720823549907580E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  6.149120698525672E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  5.626565550205154E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  9.741634063941617E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  3.556533448927028E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.949596584069757E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  5.033088019761160E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  4.609493359214341E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  9.369326808772048E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  3.324453346304520E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  4.122648062754371E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.481094710638083E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.108374892987194E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  7.163282119354833E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  8.944532768952793E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  9.977338323614898E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.909517974707475E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  3.322488315674828E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  5.765357564357123E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.662941434258149E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  5.161047707944235E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  1.241147001190712E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  1.234732765700183E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.854776852700584E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  1.396065018092783E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  9.846833398882864E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  6.991429852507953E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  8.720825119537555E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  6.149121574022389E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  5.626565327208270E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  9.741635714205928E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  3.556533368570248E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.950324987794670E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  5.033087894858087E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  4.609493164145368E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  9.369326554011236E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  3.324453149843366E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  4.122647851870760E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.481085058249311E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.109739731592731E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  7.163281921295164E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  8.944535352524698E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  9.977339061633800E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.909517841922742E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  3.322489854818391E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  5.765357383040586E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.662828997769035E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  5.161047501222019E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  1.241147286348501E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.479329163097066E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  9.901415315119277E-011
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.661237883544651E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.647911795517545E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.176774527082462E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.395541848600691E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.026930011898591E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.621484402428533E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.268084422773477E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.812343918944058E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.220000692928075E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.631719789928480E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.926964236840749E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  8.547984181211460E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.985738410371935E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.186295692778711E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.835693115926850E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.234808161784416E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.308585364819840E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.669787434422559E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.844936158498376E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.568086510290501E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.474404970489993E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.581461150598918E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.402717646211127E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.251016511530918E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.975360250644203E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.172050390728260E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  9.381464494582637E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.071716161547999E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.232040768634844E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.420237514608372E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.508315310706794E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.809518584179476E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.470695223841315E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.774237341648359E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.313369504513736E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  5.256228861181683E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  1.131607780019857E-010
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.384299201511003E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  8.979527122706163E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  8.466800736746164E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.595469315777546E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  1.693590731725748E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.139390674254102E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  8.931641392123376E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  6.705198280788621E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  6.947488454284870E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  6.930143542776702E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  8.875405321159472E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  5.985447842844669E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  5.311253654207955E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  6.387275531140950E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  1.085495959268980E-011
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  5.843704633683659E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  5.024280861546200E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.604679528650454E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  9.645496877994174E-012
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.229515589482104E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  3.204540130656375E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.834089365056255E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.080369448863761E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  1.005897588412638E-003
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.790534301359506E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  7.533656132113920E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.757318397978369E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  4.624418841977785E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  4.579811721558163E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  4.249155410695478E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  7.309946898663213E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.729526847690045E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  5.186055562622332E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  5.980918789574211E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  3.346541826958522E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  5.805881180974838E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  3.458020133919516E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  1.975915880257684E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  2.979219014501764E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  2.626409905203283E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  4.365850908292700E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  7.493592771055716E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  2.498144952763112E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.761683053990638E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  6.296445596979800E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  4.607316777017874E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  4.803404524574315E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.611261530761501E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  4.014293061035082E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  6.513444224929789E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  5.026070887082494E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  8.713211492058654E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  3.770041351464133E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.246075708417301E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  2.307721047333213E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  2.769881430900148E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  4.249154988921396E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  7.309946901076851E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.729610456367442E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  5.186056089415650E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  5.980919676168554E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  3.346541679043255E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  5.805882381935028E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  3.458019942750505E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  1.976085592881274E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  2.979218809771463E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  2.626409815511989E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  4.365851224608236E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  7.493592492974275E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  2.498144957766330E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.761711206908913E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  6.296445414335555E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  4.607317079332437E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  4.804436541146183E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.611261570185853E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  4.014294122694285E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  6.513443570304540E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  5.026070723677340E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  8.713211598857238E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  3.770041255371925E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.246799293398464E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  2.307720914146088E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  2.769880104105060E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  6.554997507682326E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  4.102638723438665E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.935167370271579E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  3.710925132528371E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.170189782769046E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  7.917036826640280E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.600356020931648E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  9.162685047371260E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.119449042884152E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.829918308038721E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.634933163591814E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.062064027855874E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.019030975980071E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  7.109729936207975E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.924026689869953E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.093388768122506E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.222912039603003E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.099283501792813E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.162468019983885E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.072034942202464E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.720826063061451E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.008231115266498E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  6.009494152534285E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.940762186166132E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.313780734155900E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  2.023810240355179E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.770632169843629E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287731026242103E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  5.143813315054906E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.504307807501069E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.547887705039796E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.645096239424821E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.642934986232144E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.533438371668467E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.039599721904714E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.035878707586369E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.605317171691113E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  5.156352935496183E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.272818771955422E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.722156517144090E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  6.847541695043799E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.688663350145227E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  1.014327105717548E-010
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  8.038527763669198E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.365230957478490E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.223700205770886E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  7.588407572976980E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.587693607191346E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  5.898020752617116E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.594931741247180E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  9.794357418200536E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.289810775494128E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.163532943884788E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.635101924850526E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.695618645688378E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  6.685770397096583E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.149919817210634E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  3.383580459916214E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.032964288597880E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  9.984011279762650E-011
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  2.226887482307956E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  7.377844605990064E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  2.959792829656720E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  2.000825776147070E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.543127017242817E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  2.568135034340333E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.517940829173226E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.269356488697516E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  5.954865354729249E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  3.441613605337541E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  4.872445848678842E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.935670835186563E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  2.249990552123777E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  3.808951006398209E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  6.584364941908365E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  4.083635657554409E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.321275863503606E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.294394546482198E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.871330863090765E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  2.938142306956829E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  5.809756865231935E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  8.268505782732715E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  1.416342011795039E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  3.349415174157934E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.078956377915340E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  1.697843666546740E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.507619352537106E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.622313279428252E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  1.115271496104780E-004
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  2.231958125381239E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  1.001068297453335E-004
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  1.737521400716552E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  1.286094644369506E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.649763159922585E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  2.342622599623824E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  1.935696119543942E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  5.954862011856687E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  3.441613460664256E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  4.872445692807527E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.935277229995655E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  2.249992554847750E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  3.808950817018536E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  6.584367770258335E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  4.083635539378539E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.321170857740594E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.294394470165378E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.871330761831587E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  2.938142337888486E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  5.809758132020598E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  8.268505185128180E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  1.416343041170327E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  3.349415037120810E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.080064968902990E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  1.697843607090605E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.507625274073541E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.620979412543713E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  1.115271462007170E-004
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  2.231958458673709E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  1.001068261944610E-004
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  1.737521557537635E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  1.286094582908794E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.648819585860280E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  2.342622529651491E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  1.935695924614985E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.663596353013692E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.130554811178249E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.450817920673981E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.181233950084841E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  3.370786461225691E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  2.802315574707796E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  8.420083508216585E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  3.353228659256560E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.700311515317255E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  1.123623703480459E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  9.630555585604081E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  3.927514694453494E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.111277290708792E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  3.524665030867891E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  6.810201556843840E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  5.083928373194055E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.269819403110882E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  5.442018511928612E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  7.416469437003591E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  5.404451811632943E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  4.668959510534102E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.888984857360677E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.117341879640058E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  1.150311785251776E-004
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  1.131004902922233E-004
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  3.330708278913508E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  4.831180460384729E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.211963464141062E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.463219403486819E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  2.603636764285360E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.085206380987201E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  3.468961434177724E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  9.172604765722541E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  9.246992547454777E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  3.932585970987294E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  3.980391100805625E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  7.470202870909694E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.069559535441747E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  4.126545856537701E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.484096093158446E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.354984461805246E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  3.351120825333682E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  1.311391755881970E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.194496756093822E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  7.830995441942024E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  6.798675721206148E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  9.826103542947640E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  3.550214954220150E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.293452702208792E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  7.675518188982707E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  9.572810234384816E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.372030993220096E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  6.483525091186461E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  6.647974679039849E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  6.727151471096050E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.890765231575116E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  6.272786474293439E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  1.044853325175798E-004
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  1.128943908537031E-004
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  7.177287430742593E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  5.572701824024311E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  3.002521900252820E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  3.350993888748723E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.168480084311289E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  2.357122061826705E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  3.442824951298180E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  8.481302202798096E-005
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  7.104448309183298E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  3.932580847389221E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  3.980391012401078E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  7.470153779616517E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.069555639930392E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  4.126545601166340E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.484097257295605E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.354984561959820E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  3.351119052611311E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  1.311389235578423E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.194497877402453E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  7.830995928828227E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  6.798644243517580E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  9.826103328875444E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  3.550227404465918E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.293452837503340E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  7.675517544804321E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  9.572832284968712E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.372019757940384E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  6.483525010075002E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  6.647965656661344E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  6.727151536756762E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.890777225221826E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  6.272787863248962E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  1.044851275798535E-004
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  1.128942011893568E-004
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  7.177285915586653E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  5.572711211427077E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  3.002515223351735E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  3.350993587689100E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.168485578370441E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  2.357121985388852E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  3.442815298439717E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  8.481303704182894E-005
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  7.104432598971633E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.663596523912684E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.130562438182874E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.450817820588840E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.181232702738856E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  3.370786477655912E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  2.802314330057987E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  8.420085355033734E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  3.353229643852496E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.700309549214053E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  1.123624118056437E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  9.630554434686781E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  3.927534550651432E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.111277473867391E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  3.524652776826872E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  6.810199895080664E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  5.083926072761745E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.269822310335023E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  5.442012781536822E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  7.416469167049917E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  5.404438036560392E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  4.668960013529023E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.888972786863737E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.117342058974265E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  1.150309937115492E-004
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  1.131006475592211E-004
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  3.330707975960842E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  4.831171405904320E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.211962810724810E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.463219970566959E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  2.603634602098911E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.085206756704366E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  3.468970288364910E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  9.172606199877776E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  9.246975956735102E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.932313941176430E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  3.207929097481258E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.462249921822737E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  3.735455307068713E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.225302433048124E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  7.376732853475336E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  4.360216519806516E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  7.763646523726907E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  3.349805616913792E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  6.913447873177176E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  9.847257916548459E-005
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  2.302667482615594E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  9.705321400965088E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.272684826151778E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  3.572948320805649E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  1.662263782920861E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  1.210768941831176E-004
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  9.850325718432595E-005
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.506163684891392E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  5.435394350893197E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  7.389975381027195E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  2.985731924783546E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.959612000728619E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  6.343597669941178E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  2.575168773771460E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  1.126411472998528E-004
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  9.073610837822056E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.016544275853541E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  2.696374350178022E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.351573567192034E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.419778953104350E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  2.594335681187767E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  3.444395354723150E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.664464578929180E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.892457518925880E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.932313782820651E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  3.207933335870823E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.462249566347895E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  3.735447973198520E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.225303534877055E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  7.376732712783983E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  4.360217682470580E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  7.763645979946994E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  3.349806999546244E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  6.913454018704034E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  9.847265113788598E-005
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  2.302667720941694E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  9.705293833553581E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.272684841359461E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  3.572936174341240E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  1.662263842960749E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  1.210768934026021E-004
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  9.850344962836366E-005
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.506165145699101E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  5.435394008733084E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  7.389978311058566E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  2.985731940987734E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.959599905331526E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  6.343596865450352E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  2.575182474099718E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  1.126413204881693E-004
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  9.073610573531978E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.016545214805728E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  2.696368012191766E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.351573587924426E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.419783032883827E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  2.594335305219405E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  3.444404596022133E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.664464191684019E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.892469659104576E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  4.891722719415701E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.680273107967370E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.685949260386843E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.943343666750789E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.644093329473909E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  4.681535695513836E-012
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  2.509571067284649E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  3.624122301234100E-012
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.867334411217843E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.172465465181899E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.254210239301326E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  5.049039185182817E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  3.340578172765288E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.563578700949403E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.792171339212664E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.820062172003420E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  2.411267484497160E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  5.007975582822005E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  1.774779355294056E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.496383851062972E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.892792283663708E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  2.074009194132417E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.916750952158668E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  2.371575617500327E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  4.953933015707218E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  5.903666780839357E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.610734467382615E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  6.220964348018651E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.530108027111468E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  4.366967344047446E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.649040695638439E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.292828731600173E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.569142537786314E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.407203597204681E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  1.206403707021014E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.111335334798815E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  4.618509692736104E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.347945995691056E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.668400966452291E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  2.072690577296796E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  3.670508449548517E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  9.602658286797954E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.645319854137312E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.472972148543696E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  1.231760795219945E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  2.197262941925136E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.446015996930484E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.319019394663235E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  2.630828995601667E-005
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.523299600220265E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  1.704832351017019E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  2.999469280615930E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  8.829497952643134E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.731519478676874E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  1.471998211409627E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  2.503462604284688E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.375727609045161E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.498967349557532E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  4.277596640643134E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  1.024064679836176E-004
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.865115749725194E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.804377581511340E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  2.490128066911426E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.912829015408824E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  8.064077881539568E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  4.271870561222619E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.249168584364230E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  2.209565038078374E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  4.556198520900885E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  1.072414741037912E-004
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  7.921385864114316E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  1.392928576403957E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  6.177189006565914E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.168711823857117E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  2.563812633691200E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  3.851587072806124E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.668396044290258E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  2.072690997365301E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  3.670496071931950E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  9.602657331334819E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.645319807398386E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.472972279407465E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  1.231760645363818E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  2.197262763048330E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.446016080741426E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.319085072582747E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  2.630807244304880E-005
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.523299820508273E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  1.704832387162718E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  2.999464569661344E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  8.829497898639479E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.732543041493313E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  1.471998625329612E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  2.503462582911620E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.375727431131738E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.498967341576270E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  4.277597342521225E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  1.024064631014449E-004
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.865115223298989E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.804377529609855E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  2.490128124635287E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.912606395052519E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  8.064077859596084E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  4.271869871604978E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.249650472338739E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  2.209565154196327E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  4.556167537595460E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  1.072412255843506E-004
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  7.921385829823790E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  1.392928907119943E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  6.177189188434661E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.155650215575951E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  2.563813087899758E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  3.851561020468493E-005
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.39352779 p = -3227.50212444
                                d =  -843.17663493 f =   -22.95810934
       valence  contribution :  s =    -0.07669220 p =    -0.02218602
                                d =    -0.26467781 f =    -0.00227669
                                ns      0.00324067
     single particle energies  spin  up    
         core   contribution :  s = -6845.20285271 p = -3229.44450311
                                d =  -844.79153004 f =   -24.09162175
       valence  contribution :  s =    -0.10883855 p =    -0.03071541
                                d =    -0.81565787 f =    -0.00310477
                                ns      0.00623157
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21882.87558118
                                   band energy per atom :   -1.3146770712

     coulomb  contribution :   0  13838.97918043  1      0.00978839
                               2      0.00067717  3     -0.00139083
                               4      0.00230808  5     -0.00001728
                               6     -0.00002721
     --------------------------------------------------------------------
     tot. coulomb contribution :  13838.99051875

     ex.-cor. contribution :   0   -674.93926337  1      0.00884699
                               2      0.00237086  3     -0.00779275
                               4     -0.00781835  5      0.00236099
                               6      0.00005426
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.94124136

     eff. pot. contribution     : -26922.18893944
     total double counting contribution                 : -13758.13966205

   Total contribution of atom  1 =-35641.01524323
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07714858 p =    -0.08926267
                                d =    -0.03918325 f =    -0.01193171
                                ns      0.03651199
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10057069 p =    -0.11648550
                                d =    -0.05500316 f =    -0.01933742
                                ns      0.05175664
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42065434
                                   band energy per atom :   -0.4206543436

     coulomb  contribution :   0     -0.15357641  1      0.00322720
                               2      0.01106734  3      0.00210581
                               4      0.00025619  5      0.00046797
                               6      0.00001764
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13643427

     ex.-cor. contribution :   0     -0.69246647  1     -0.00067773
                               2      0.05244646  3      0.00993955
                               4      0.01920757  5      0.00393616
                               6      0.00048956
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60712490

     eff. pot. contribution     :     -0.46543770
     total double counting contribution                 :     -1.20899687

   Total contribution of atom  2 =    -1.62965121
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07706575 p =    -0.08915738
                                d =    -0.03914699 f =    -0.01191839
                                ns      0.03643172
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10046989 p =    -0.11633982
                                d =    -0.05494077 f =    -0.01931351
                                ns      0.05164018
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42028060
                                   band energy per atom :   -0.4202805990

     coulomb  contribution :   0     -0.15384877  1      0.00324841
                               2      0.01107796  3      0.00209848
                               4      0.00026503  5      0.00046972
                               6      0.00001779
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13667138

     ex.-cor. contribution :   0     -0.69178313  1     -0.00069317
                               2      0.05238242  3      0.00992263
                               4      0.01914400  5      0.00392913
                               6      0.00048723
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60661090

     eff. pot. contribution     :     -0.46513602
     total double counting contribution                 :     -1.20841830

   Total contribution of atom  3 =    -1.62869890
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07706575 p =    -0.08915738
                                d =    -0.03914700 f =    -0.01191839
                                ns      0.03643173
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10046989 p =    -0.11633982
                                d =    -0.05494077 f =    -0.01931351
                                ns      0.05164018
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42028060
                                   band energy per atom :   -0.4202806024

     coulomb  contribution :   0     -0.15384877  1      0.00324841
                               2      0.01107796  3      0.00209848
                               4      0.00026503  5      0.00046972
                               6      0.00001779
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13667139

     ex.-cor. contribution :   0     -0.69178313  1     -0.00069317
                               2      0.05238242  3      0.00992264
                               4      0.01914402  5      0.00392913
                               6      0.00048723
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60661087

     eff. pot. contribution     :     -0.46513601
     total double counting contribution                 :     -1.20841827

   Total contribution of atom  4 =    -1.62869887
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04735782 p =    -0.05782600
                                d =    -0.02652282 f =    -0.00833146
                                ns      0.00796564
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06204191 p =    -0.07327719
                                d =    -0.03453291 f =    -0.01163424
                                ns      0.01020433
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30335439
                                   band energy per atom :   -0.3033543894

     coulomb  contribution :   0     -0.10496372  1     -0.00107321
                               2     -0.00041879  3     -0.00003511
                               4      0.00098449  5      0.00012846
                               6      0.00023357
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10514430

     ex.-cor. contribution :   0     -0.42209403  1     -0.00014567
                               2     -0.00033850  3     -0.00002745
                               4      0.01735156  5      0.00001223
                               6      0.00112766
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40411420

     eff. pot. contribution     :     -0.44511354
     total double counting contribution                 :     -0.95437204

   Total contribution of atom  5 =    -1.25772643
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04735681 p =    -0.05784279
                                d =    -0.02653219 f =    -0.00833080
                                ns      0.00796675
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06203207 p =    -0.07329123
                                d =    -0.03454455 f =    -0.01163455
                                ns      0.01020526
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30339299
                                   band energy per atom :   -0.3033929868

     coulomb  contribution :   0     -0.10482001  1     -0.00107289
                               2     -0.00041902  3     -0.00003409
                               4      0.00097860  5      0.00012876
                               6      0.00023264
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10500601

     ex.-cor. contribution :   0     -0.42205371  1     -0.00014709
                               2     -0.00033440  3     -0.00002805
                               4      0.01735470  5      0.00001249
                               6      0.00112353
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40407254

     eff. pot. contribution     :     -0.44507697
     total double counting contribution                 :     -0.95415552

   Total contribution of atom  6 =    -1.25754851
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04735681 p =    -0.05784280
                                d =    -0.02653219 f =    -0.00833080
                                ns      0.00796675
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06203207 p =    -0.07329123
                                d =    -0.03454455 f =    -0.01163455
                                ns      0.01020526
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30339299
                                   band energy per atom :   -0.3033929887

     coulomb  contribution :   0     -0.10482002  1     -0.00107289
                               2     -0.00041902  3     -0.00003409
                               4      0.00097860  5      0.00012876
                               6      0.00023264
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10500601

     ex.-cor. contribution :   0     -0.42205371  1     -0.00014709
                               2     -0.00033440  3     -0.00002805
                               4      0.01735468  5      0.00001249
                               6      0.00112353
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40407256

     eff. pot. contribution     :     -0.44507697
     total double counting contribution                 :     -0.95415554

   Total contribution of atom  7 =    -1.25754853
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07000266 p =    -0.08188115
                                d =    -0.03353362 f =    -0.00874468
                                ns      0.01625768
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09093373 p =    -0.10641383
                                d =    -0.04669974 f =    -0.01359107
                                ns      0.02201120
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41353161
                                   band energy per atom :   -0.4135316067

     coulomb  contribution :   0     -0.15334352  1     -0.00179462
                               2     -0.00263835  3      0.00304802
                               4      0.00175480  5      0.00026624
                               6      0.00020652
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15250091

     ex.-cor. contribution :   0     -0.61419034  1      0.00227655
                               2      0.00354944  3      0.00063992
                               4      0.02978865  5      0.00089870
                               6      0.00053208
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57650499

     eff. pot. contribution     :     -0.44662240
     total double counting contribution                 :     -1.17562830

   Total contribution of atom  8 =    -1.58915991
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.46783473 p = -1089.55784727
                                d =  -190.52260826
       valence  contribution :  s =    -0.45020053 p =    -0.16365164
                                d =    -0.01438262 f =    -0.00432117
                                ns     -0.00268675
     single particle energies  spin  up    
         core   contribution :  s = -2636.11243248 p = -1091.00855684
                                d =  -192.13143551
       valence  contribution :  s =    -0.56372671 p =    -0.24208074
                                d =    -0.02051030 f =    -0.00607716
                                ns     -0.00325296
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.27160567
                                   band energy per atom :   -1.4708905849

     coulomb  contribution :   0   5102.94886137  1     -0.00012111
                               2      0.00048779  3      0.00185518
                               4     -0.00855247  5     -0.00000203
                               6      0.00010518
     --------------------------------------------------------------------
     tot. coulomb contribution :   5102.94263392

     ex.-cor. contribution :   0   -329.20072338  1     -0.00003710
                               2     -0.00028576  3      0.00355552
                               4     -0.01867338  5      0.00001906
                               6      0.00034966
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.21579538

     eff. pot. contribution     :  -9891.59020610
     total double counting contribution                 :  -5117.86336756

   Total contribution of atom  9 =-12954.13497323
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.46796622 p = -1089.55813699
                                d =  -190.52291637
       valence  contribution :  s =    -0.45014040 p =    -0.16358518
                                d =    -0.01438530 f =    -0.00432387
                                ns     -0.00268895
     single particle energies  spin  up    
         core   contribution :  s = -2636.11256385 p = -1091.00884623
                                d =  -192.13174311
       valence  contribution :  s =    -0.56366844 p =    -0.24197596
                                d =    -0.02051255 f =    -0.00608075
                                ns     -0.00325736
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.27279151
                                   band energy per atom :   -1.4706187477

     coulomb  contribution :   0   5102.93071890  1     -0.00012400
                               2      0.00048533  3      0.00185844
                               4     -0.00856404  5     -0.00000127
                               6      0.00010540
     --------------------------------------------------------------------
     tot. coulomb contribution :   5102.92447875

     ex.-cor. contribution :   0   -329.20020631  1     -0.00003803
                               2     -0.00028924  3      0.00355503
                               4     -0.01869527  5      0.00001982
                               6      0.00035009
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.21530392

     eff. pot. contribution     :  -9891.57036285
     total double counting contribution                 :  -5117.86118802

   Total contribution of atom 10 =-12954.13397953
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.46796622 p = -1089.55813699
                                d =  -190.52291637
       valence  contribution :  s =    -0.45014040 p =    -0.16358518
                                d =    -0.01438530 f =    -0.00432387
                                ns     -0.00268895
     single particle energies  spin  up    
         core   contribution :  s = -2636.11256386 p = -1091.00884624
                                d =  -192.13174312
       valence  contribution :  s =    -0.56366844 p =    -0.24197596
                                d =    -0.02051255 f =    -0.00608075
                                ns     -0.00325736
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.27279154
                                   band energy per atom :   -1.4706187504

     coulomb  contribution :   0   5102.93071902  1     -0.00012400
                               2      0.00048533  3      0.00185844
                               4     -0.00856404  5     -0.00000127
                               6      0.00010540
     --------------------------------------------------------------------
     tot. coulomb contribution :   5102.92447887

     ex.-cor. contribution :   0   -329.20020634  1     -0.00003803
                               2     -0.00028922  3      0.00355361
                               4     -0.01869403  5      0.00001982
                               6      0.00035009
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.21530410

     eff. pot. contribution     :  -9891.57036294
     total double counting contribution                 :  -5117.86118817

   Total contribution of atom 11 =-12954.13397971
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08504347 p =    -0.10523741
                                d =    -0.04845331 f =    -0.01440866
                                ns      0.04941846
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10599486 p =    -0.12757907
                                d =    -0.05996516 f =    -0.01904164
                                ns      0.06226029
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45404483
                                   band energy per atom :   -0.4540448280

     coulomb  contribution :   0     -0.20980464  1     -0.00190610
                               2     -0.00011256  3      0.00211938
                               4      0.00362167  5      0.00081335
                               6      0.00003271
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.20523618

     ex.-cor. contribution :   0     -0.66367339  1     -0.00134566
                               2      0.05057876  3      0.00887061
                               4      0.01938700  5      0.00404974
                               6      0.00027195
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58186098

     eff. pot. contribution     :     -0.40203465
     total double counting contribution                 :     -1.18913180

   Total contribution of atom 12 =    -1.64317663
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65877634 p = -1150.98792546
                                d =  -209.43811930
       valence  contribution :  s =    -0.59779142 p =    -0.21693675
                                d =    -0.01367008 f =    -0.00362241
                                ns      0.00139288
     single particle energies  spin  up    
         core   contribution :  s = -2756.30394601 p = -1152.44014288
                                d =  -211.04958447
       valence  contribution :  s =    -0.71183178 p =    -0.33581079
                                d =    -0.01491849 f =    -0.00373176
                                ns      0.00128789
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.77412719
                                   band energy per atom :   -1.8956327251

     coulomb  contribution :   0   5303.40883698  1      0.00129262
                               2     -0.00112983  3     -0.00424964
                               4     -0.00597508  5      0.00068450
                               6     -0.00000069
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.39945886

     ex.-cor. contribution :   0   -339.78535873  1      0.01204385
                               2     -0.00316803  3     -0.01498887
                               4     -0.01430235  5      0.00226050
                               6     -0.00000726
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.80352089

     eff. pot. contribution     : -10306.16023628
     total double counting contribution                 :  -5342.56429831

   Total contribution of atom 13 =-13580.33842550
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65889952 p = -1150.98820255
                                d =  -209.43842630
       valence  contribution :  s =    -0.59778534 p =    -0.21695527
                                d =    -0.01366816 f =    -0.00362246
                                ns      0.00139086
     single particle energies  spin  up    
         core   contribution :  s = -2756.30406909 p = -1152.44041984
                                d =  -211.04989129
       valence  contribution :  s =    -0.71182567 p =    -0.33583000
                                d =    -0.01491645 f =    -0.00373166
                                ns      0.00128484
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.77556791
                                   band energy per atom :   -1.8956593165

     coulomb  contribution :   0   5303.41087334  1      0.00130491
                               2     -0.00113490  3     -0.00424545
                               4     -0.00597890  5      0.00068546
                               6     -0.00000067
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.40150379

     ex.-cor. contribution :   0   -339.78539344  1      0.01204310
                               2     -0.00317875  3     -0.01494533
                               4     -0.01430571  5      0.00226176
                               6     -0.00000715
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.80352552

     eff. pot. contribution     : -10306.16058061
     total double counting contribution                 :  -5342.56260234

   Total contribution of atom 14 =-13580.33817026
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.65889947 p = -1150.98820255
                                d =  -209.43842630
       valence  contribution :  s =    -0.59778534 p =    -0.21695527
                                d =    -0.01366816 f =    -0.00362246
                                ns      0.00139086
     single particle energies  spin  up    
         core   contribution :  s = -2756.30406915 p = -1152.44041984
                                d =  -211.04989129
       valence  contribution :  s =    -0.71182567 p =    -0.33583000
                                d =    -0.01491645 f =    -0.00373166
                                ns      0.00128484
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.77556791
                                   band energy per atom :   -1.8956593171

     coulomb  contribution :   0   5303.41087345  1      0.00130491
                               2     -0.00113490  3     -0.00424545
                               4     -0.00597890  5      0.00068546
                               6     -0.00000067
     --------------------------------------------------------------------
     tot. coulomb contribution :   5303.40150391

     ex.-cor. contribution :   0   -339.78539348  1      0.01204310
                               2     -0.00317881  3     -0.01495813
                               4     -0.01429481  5      0.00226176
                               6     -0.00000715
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.80352751

     eff. pot. contribution     : -10306.16058073
     total double counting contribution                 :  -5342.56260433

   Total contribution of atom 15 =-13580.33817224
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66876077 p = -1151.01186075
                                d =  -209.46757969
       valence  contribution :  s =    -0.60257532 p =    -0.22173111
                                d =    -0.01338568 f =    -0.00349258
                                ns      0.00001864
     single particle energies  spin  up    
         core   contribution :  s = -2756.31381699 p = -1152.46376913
                                d =  -211.07846738
       valence  contribution :  s =    -0.71596559 p =    -0.34171511
                                d =    -0.01504448 f =    -0.00383238
                                ns      0.00024945
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92172887
                                   band energy per atom :   -1.9174741622

     coulomb  contribution :   0   5305.14866691  1      0.00262578
                               2     -0.00141313  3     -0.00418797
                               4     -0.00595144  5      0.00063802
                               6     -0.00001947
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.14035871

     ex.-cor. contribution :   0   -339.83216013  1      0.01195662
                               2     -0.00385704  3     -0.01370024
                               4     -0.01400393  5      0.00204558
                               6     -0.00003567
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84975481

     eff. pot. contribution     : -10307.75790299
     total double counting contribution                 :  -5342.46729909

   Total contribution of atom 16 =-13580.38902796
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66863321 p = -1151.01157159
                                d =  -209.46725534
       valence  contribution :  s =    -0.60253391 p =    -0.22174106
                                d =    -0.01338496 f =    -0.00349209
                                ns      0.00001540
     single particle energies  spin  up    
         core   contribution :  s = -2756.31368923 p = -1152.46347949
                                d =  -211.07814211
       valence  contribution :  s =    -0.71591724 p =    -0.34172107
                                d =    -0.01504446 f =    -0.00383201
                                ns      0.00024558
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92017679
                                   band energy per atom :   -1.9174058200

     coulomb  contribution :   0   5305.14148210  1      0.00261172
                               2     -0.00140914  3     -0.00419089
                               4     -0.00595089  5      0.00063729
                               6     -0.00001938
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.13316081

     ex.-cor. contribution :   0   -339.83203279  1      0.01195453
                               2     -0.00384422  3     -0.01371099
                               4     -0.01400270  5      0.00204574
                               6     -0.00003555
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84962599

     eff. pot. contribution     : -10307.75262611
     total double counting contribution                 :  -5342.46909129

   Total contribution of atom 17 =-13580.38926808
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66863319 p = -1151.01157160
                                d =  -209.46725534
       valence  contribution :  s =    -0.60253391 p =    -0.22174106
                                d =    -0.01338496 f =    -0.00349209
                                ns      0.00001540
     single particle energies  spin  up    
         core   contribution :  s = -2756.31368926 p = -1152.46347949
                                d =  -211.07814211
       valence  contribution :  s =    -0.71591724 p =    -0.34172107
                                d =    -0.01504446 f =    -0.00383201
                                ns      0.00024558
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92017681
                                   band energy per atom :   -1.9174058219

     coulomb  contribution :   0   5305.14148224  1      0.00261172
                               2     -0.00140914  3     -0.00419089
                               4     -0.00595089  5      0.00063729
                               6     -0.00001938
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.13316095

     ex.-cor. contribution :   0   -339.83203277  1      0.01195453
                               2     -0.00384425  3     -0.01370762
                               4     -0.01400669  5      0.00204574
                               6     -0.00003555
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84962661

     eff. pot. contribution     : -10307.75262623
     total double counting contribution                 :  -5342.46909190

   Total contribution of atom 18 =-13580.38926871
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66876079 p = -1151.01186075
                                d =  -209.46757969
       valence  contribution :  s =    -0.60257532 p =    -0.22173111
                                d =    -0.01338568 f =    -0.00349258
                                ns      0.00001864
     single particle energies  spin  up    
         core   contribution :  s = -2756.31381698 p = -1152.46376913
                                d =  -211.07846738
       valence  contribution :  s =    -0.71596559 p =    -0.34171511
                                d =    -0.01504448 f =    -0.00383238
                                ns      0.00024945
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92172888
                                   band energy per atom :   -1.9174741632

     coulomb  contribution :   0   5305.14866721  1      0.00262578
                               2     -0.00141313  3     -0.00418797
                               4     -0.00595144  5      0.00063802
                               6     -0.00001947
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.14035900

     ex.-cor. contribution :   0   -339.83216014  1      0.01195662
                               2     -0.00385697  3     -0.01369506
                               4     -0.01400934  5      0.00204558
                               6     -0.00003567
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84975499

     eff. pot. contribution     : -10307.75790329
     total double counting contribution                 :  -5342.46729927

   Total contribution of atom 19 =-13580.38902815
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66873128 p = -1151.01179447
                                d =  -209.46750652
       valence  contribution :  s =    -0.60256174 p =    -0.22180370
                                d =    -0.01338308 f =    -0.00349138
                                ns      0.00002029
     single particle energies  spin  up    
         core   contribution :  s = -2756.31378760 p = -1152.46370314
                                d =  -211.07839475
       valence  contribution :  s =    -0.71594769 p =    -0.34179100
                                d =    -0.01504188 f =    -0.00383095
                                ns      0.00024992
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92149895
                                   band energy per atom :   -1.9175812060

     coulomb  contribution :   0   5305.15039122  1      0.00260416
                               2     -0.00140213  3     -0.00418531
                               4     -0.00595464  5      0.00063755
                               6     -0.00001930
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.14207153

     ex.-cor. contribution :   0   -339.83228667  1      0.01195038
                               2     -0.00383515  3     -0.01368652
                               4     -0.01402203  5      0.00204618
                               6     -0.00003550
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84986932

     eff. pot. contribution     : -10307.76006793
     total double counting contribution                 :  -5342.46786571

   Total contribution of atom 20 =-13580.38936466
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66873126 p = -1151.01179448
                                d =  -209.46750652
       valence  contribution :  s =    -0.60256174 p =    -0.22180370
                                d =    -0.01338308 f =    -0.00349138
                                ns      0.00002029
     single particle energies  spin  up    
         core   contribution :  s = -2756.31378760 p = -1152.46370314
                                d =  -211.07839475
       valence  contribution :  s =    -0.71594769 p =    -0.34179100
                                d =    -0.01504188 f =    -0.00383095
                                ns      0.00024992
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92149896
                                   band energy per atom :   -1.9175812069

     coulomb  contribution :   0   5305.15039103  1      0.00260416
                               2     -0.00140213  3     -0.00418531
                               4     -0.00595464  5      0.00063755
                               6     -0.00001930
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.14207135

     ex.-cor. contribution :   0   -339.83228666  1      0.01195038
                               2     -0.00383513  3     -0.01368903
                               4     -0.01402103  5      0.00204618
                               6     -0.00003550
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.84987080

     eff. pot. contribution     : -10307.76006772
     total double counting contribution                 :  -5342.46786716

   Total contribution of atom 21 =-13580.38936613
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62621427 p = -1150.91274921
                                d =  -209.34577540
       valence  contribution :  s =    -0.58556638 p =    -0.20287708
                                d =    -0.01165466 f =    -0.00314755
                                ns     -0.00910660
     single particle energies  spin  up    
         core   contribution :  s = -2756.27130749 p = -1152.36480047
                                d =  -210.95814940
       valence  contribution :  s =    -0.70346208 p =    -0.32819717
                                d =    -0.01330978 f =    -0.00351409
                                ns     -0.00984718
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.34967883
                                   band energy per atom :   -1.8706825896

     coulomb  contribution :   0   5316.87010819  1      0.00003484
                               2     -0.00353493  3     -0.00001016
                               4     -0.00716263  5      0.00000152
                               6      0.00001827
     --------------------------------------------------------------------
     tot. coulomb contribution :   5316.85945511

     ex.-cor. contribution :   0   -339.85639913  1     -0.00002866
                               2     -0.00972325  3     -0.00071813
                               4     -0.04080355  5     -0.00000032
                               6      0.00015985
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90751319

     eff. pot. contribution     : -10320.14279873
     total double counting contribution                 :  -5343.19085681

   Total contribution of atom 22 =-13580.54053563
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62616290 p = -1150.91263529
                                d =  -209.34565238
       valence  contribution :  s =    -0.58555751 p =    -0.20286919
                                d =    -0.01165396 f =    -0.00314696
                                ns     -0.00910773
     single particle energies  spin  up    
         core   contribution :  s = -2756.27125597 p = -1152.36468589
                                d =  -210.95802515
       valence  contribution :  s =    -0.70345254 p =    -0.32818060
                                d =    -0.01331030 f =    -0.00351407
                                ns     -0.00984746
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.34905790
                                   band energy per atom :   -1.8706403218

     coulomb  contribution :   0   5316.87156934  1      0.00003483
                               2     -0.00353251  3     -0.00001024
                               4     -0.00716204  5      0.00000150
                               6      0.00001826
     --------------------------------------------------------------------
     tot. coulomb contribution :   5316.86091914

     ex.-cor. contribution :   0   -339.85644185  1     -0.00002869
                               2     -0.00972324  3     -0.00071067
                               4     -0.04074475  5     -0.00000032
                               6      0.00015992
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90748960

     eff. pot. contribution     : -10320.14495742
     total double counting contribution                 :  -5343.19152788

   Total contribution of atom 23 =-13580.54058579
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.62616298 p = -1150.91263529
                                d =  -209.34565238
       valence  contribution :  s =    -0.58555751 p =    -0.20286919
                                d =    -0.01165396 f =    -0.00314696
                                ns     -0.00910773
     single particle energies  spin  up    
         core   contribution :  s = -2756.27125586 p = -1152.36468589
                                d =  -210.95802515
       valence  contribution :  s =    -0.70345254 p =    -0.32818060
                                d =    -0.01331030 f =    -0.00351407
                                ns     -0.00984746
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.34905788
                                   band energy per atom :   -1.8706403224

     coulomb  contribution :   0   5316.87156920  1      0.00003483
                               2     -0.00353251  3     -0.00001024
                               4     -0.00716204  5      0.00000150
                               6      0.00001826
     --------------------------------------------------------------------
     tot. coulomb contribution :   5316.86091900

     ex.-cor. contribution :   0   -339.85644180  1     -0.00002869
                               2     -0.00972287  3     -0.00071120
                               4     -0.04075826  5     -0.00000032
                               6      0.00015992
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90750322

     eff. pot. contribution     : -10320.14495728
     total double counting contribution                 :  -5343.19154149

   Total contribution of atom 24 =-13580.54059937
                                   sum of band energies :  -31.5695744715
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.28219716
                                eV  : -3231109.22351816
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:13:41:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           12
25.03.2020 20:13:41:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   3.465055100420017E-010  2.801239192752895E-006
  0.784859885703298     
 magnetic moment2 is   3.465040591287731E-010  2.801239192911835E-006
 -0.179632264763665     
 magnetic moment is   6.429976386404523E-011 -2.469085347043984E-003
  5.074601237882448E-002
 magnetic moment2 is   6.429976386404523E-011 -2.469085347043984E-003
 -1.865265865842747E-002
 magnetic moment is  -2.136123067107373E-003  1.239730866467251E-003
  5.075341002217282E-002
 magnetic moment2 is  -2.136123067107373E-003  1.239730866467251E-003
 -1.866044326383648E-002
 magnetic moment is   2.136123020857516E-003  1.239730680527808E-003
  5.075341007787604E-002
 magnetic moment2 is   2.136123020857516E-003  1.239730680527808E-003
 -1.866044355077984E-002
 magnetic moment is  -2.423882058608107E-011  3.031982446215790E-004
  5.406004606565845E-002
 magnetic moment2 is  -2.423882058608107E-011  3.031982446215790E-004
 -2.350766919668486E-002
 magnetic moment is   2.712685663652718E-004 -1.594767754494053E-004
  5.400619128534817E-002
 magnetic moment2 is   2.712685663652718E-004 -1.594767754494053E-004
 -2.355208750649608E-002
 magnetic moment is  -2.712682977103583E-004 -1.594765809719989E-004
  5.400619236274273E-002
 magnetic moment2 is  -2.712682977103583E-004 -1.594765809719989E-004
 -2.355208671425570E-002
 magnetic moment is  -4.573805245654039E-011 -1.434084487962989E-006
  5.238040334338567E-002
 magnetic moment2 is  -4.573805245654039E-011 -1.434084487962989E-006
 -2.559134019714362E-002
 magnetic moment is  -2.341786534652834E-010 -3.337214720064396E-003
  0.179721629053006     
 magnetic moment2 is  -2.341958810041234E-010 -3.342828148614255E-003
 -0.130826966730309     
 magnetic moment is  -2.893985173855639E-003  1.666232693762140E-003
  0.179672568188307     
 magnetic moment2 is  -2.898847770113889E-003  1.669035266466974E-003
 -0.130879175357892     
 magnetic moment is   2.893985670153948E-003  1.666232917434863E-003
  0.179672569330490     
 magnetic moment2 is   2.898848266657710E-003  1.669035489977999E-003
 -0.130879174475558     
 magnetic moment is   1.807740539296820E-011  4.526600003384514E-007
  6.146280026298978E-002
 magnetic moment2 is   1.807740539296820E-011  4.526600003384514E-007
 -1.468309658963399E-002
 magnetic moment is   1.161720552655260E-010  9.967471820025724E-004
  0.315044495291884     
 magnetic moment2 is   1.161708347791404E-010  9.983803530373898E-004
  2.187217443880195E-002
 magnetic moment is   8.638320759917803E-004 -5.006565421636522E-004
  0.315006721881183     
 magnetic moment2 is   8.652578596745585E-004 -5.014831480458394E-004
  2.183825105825618E-002
 magnetic moment is  -8.638319700837582E-004 -5.006565665068725E-004
  0.315006721045586     
 magnetic moment2 is  -8.652577540234976E-004 -5.014831723628785E-004
  2.183825024722776E-002
 magnetic moment is  -5.912044790609802E-005  1.186474043156156E-003
  0.284415675081000     
 magnetic moment2 is  -5.915258302982172E-005  1.186503346143639E-003
 -6.495130147174136E-003
 magnetic moment is   1.001540412813764E-003 -6.416119186575671E-004
  0.284343499851337     
 magnetic moment2 is   1.001549903205630E-003 -6.416523114591275E-004
 -6.569302763121593E-003
 magnetic moment is  -1.001540301940563E-003 -6.416117256071387E-004
  0.284343500615309     
 magnetic moment2 is  -1.001549792358701E-003 -6.416521184047100E-004
 -6.569302002362956E-003
 magnetic moment is   5.912086242480818E-005  1.186474191002120E-003
  0.284415671556161     
 magnetic moment2 is   5.915299751323372E-005  1.186503494000304E-003
 -6.495133522333774E-003
 magnetic moment is   1.054011934087565E-003 -5.408921679439841E-004
  0.284416672735381     
 magnetic moment2 is   1.054049853396688E-003 -5.408861253509184E-004
 -6.495575584675367E-003
 magnetic moment is  -1.054011485642358E-003 -5.408924278154808E-004
  0.284416677070430     
 magnetic moment2 is  -1.054049404968326E-003 -5.408863852242765E-004
 -6.495571404307454E-003
 magnetic moment is  -2.074384448122555E-010 -1.085032109612671E-004
  0.294807070024309     
 magnetic moment2 is  -2.074872567866832E-010 -1.087934446878954E-004
 -1.705414131640158E-002
 magnetic moment is  -8.949984972729866E-005  5.702746986412547E-005
  0.294775518606152     
 magnetic moment2 is  -8.949884428114606E-005  5.702692897131120E-005
 -1.708428858952614E-002
 magnetic moment is   8.949980620566321E-005  5.702763301559455E-005
  0.294775523217474     
 magnetic moment2 is   8.949880075813812E-005  5.702709212299708E-005
 -1.708428410662291E-002
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.35790685  0.39444247    0.0365
          p =  0.09765971  0.12094435    0.0233
          d =  3.44679976  4.16811502    0.7213
          f =  0.00907140  0.00996502    0.0009
          ns  -0.02147091 -0.01864015    0.0028
          ------------------------------------
          TOT  3.88996682  4.67482670    0.7849
                           8.56479352
   ========================== 
      2   s =  0.23953899  0.26054534    0.0210
          p =  0.31062794  0.33277665    0.0221
          d =  0.16372467  0.17795870    0.0142
          f =  0.05950775  0.06940088    0.0099
          ns  -0.11592368 -0.13245987   -0.0165
          ------------------------------------
          TOT  0.65747567  0.70822168    0.0507
                           1.36569736
   ========================== 
      3   s =  0.23941200  0.26045427    0.0210
          p =  0.31032244  0.33248520    0.0222
          d =  0.16355627  0.17775279    0.0142
          f =  0.05945084  0.06932016    0.0099
          ns  -0.11567479 -0.13219224   -0.0165
          ------------------------------------
          TOT  0.65706677  0.70782018    0.0508
                           1.36488695
   ========================== 
      4   s =  0.23941200  0.26045427    0.0210
          p =  0.31032244  0.33248520    0.0222
          d =  0.16355627  0.17775279    0.0142
          f =  0.05945084  0.06932016    0.0099
          ns  -0.11567479 -0.13219224   -0.0165
          ------------------------------------
          TOT  0.65706677  0.70782018    0.0508
                           1.36488694
   ========================== 
      5   s =  0.15695916  0.17837689    0.0214
          p =  0.20756990  0.22744057    0.0199
          d =  0.10689032  0.11792370    0.0110
          f =  0.03636067  0.04176391    0.0054
          ns  -0.02372368 -0.02738865   -0.0037
          ------------------------------------
          TOT  0.48405637  0.53811642    0.0541
                           1.02217279
   ========================== 
      6   s =  0.15689007  0.17828728    0.0214
          p =  0.20756319  0.22740478    0.0198
          d =  0.10693130  0.11795513    0.0110
          f =  0.03637126  0.04177613    0.0054
          ns  -0.02372360 -0.02738493   -0.0037
          ------------------------------------
          TOT  0.48403220  0.53803839    0.0540
                           1.02207060
   ========================== 
      7   s =  0.15689007  0.17828728    0.0214
          p =  0.20756319  0.22740478    0.0198
          d =  0.10693129  0.11795513    0.0110
          f =  0.03637125  0.04177613    0.0054
          ns  -0.02372360 -0.02738493   -0.0037
          ------------------------------------
          TOT  0.48403220  0.53803840    0.0540
                           1.02207060
   ========================== 
      8   s =  0.20941313  0.23019432    0.0208
          p =  0.28305945  0.30340650    0.0203
          d =  0.14247727  0.15607218    0.0136
          f =  0.03964773  0.04775062    0.0081
          ns  -0.04155669 -0.05200233   -0.0104
          ------------------------------------
          TOT  0.63304088  0.68542129    0.0524
                           1.31846217
   ========================== 
      9   s =  0.79932343  0.85407866    0.0548
          p =  0.78787441  0.90547889    0.1176
          d =  0.08654357  0.09160027    0.0051
          f =  0.02064674  0.02232232    0.0017
          ns   0.01041414  0.01104379    0.0006
          ------------------------------------
          TOT  1.70480229  1.88452392    0.1797
                           3.58932622
   ========================== 
     10   s =  0.79935991  0.85409370    0.0547
          p =  0.78754863  0.90511726    0.1176
          d =  0.08654349  0.09160614    0.0051
          f =  0.02065732  0.02233331    0.0017
          ns   0.01043341  0.01106489    0.0006
          ------------------------------------
          TOT  1.70454274  1.88421531    0.1797
                           3.58875805
   ========================== 
     11   s =  0.79935990  0.85409370    0.0547
          p =  0.78754863  0.90511727    0.1176
          d =  0.08654349  0.09160614    0.0051
          f =  0.02065732  0.02233331    0.0017
          ns   0.01043341  0.01106489    0.0006
          ------------------------------------
          TOT  1.70454274  1.88421531    0.1797
                           3.58875805
   ========================== 
     12   s =  0.22978037  0.25571304    0.0259
          p =  0.30651559  0.33366484    0.0271
          d =  0.15749218  0.17498080    0.0175
          f =  0.05042442  0.05934415    0.0089
          ns  -0.11148096 -0.12950844   -0.0180
          ------------------------------------
          TOT  0.63273160  0.69419440    0.0615
                           1.32692600
   ========================== 
     13   s =  0.84347347  0.86562166    0.0221
          p =  1.21336701  1.50674547    0.2934
          d =  0.05031821  0.05134244    0.0010
          f =  0.01191096  0.01207084    0.0002
          ns   0.00257602  0.00090975   -0.0017
          ------------------------------------
          TOT  2.12164567  2.43669016    0.3150
                           4.55833583
   ========================== 
     14   s =  0.84345336  0.86561149    0.0222
          p =  1.21341220  1.50674388    0.2933
          d =  0.05032049  0.05134467    0.0010
          f =  0.01191210  0.01207095    0.0002
          ns   0.00258789  0.00092178   -0.0017
          ------------------------------------
          TOT  2.12168604  2.43669276    0.3150
                           4.55837880
   ========================== 
     15   s =  0.84345336  0.86561149    0.0222
          p =  1.21341220  1.50674388    0.2933
          d =  0.05032049  0.05134467    0.0010
          f =  0.01191210  0.01207095    0.0002
          ns   0.00258789  0.00092178   -0.0017
          ------------------------------------
          TOT  2.12168604  2.43669276    0.3150
                           4.55837881
   ========================== 
     16   s =  0.84507034  0.86664490    0.0216
          p =  1.24721125  1.50926877    0.2621
          d =  0.05015608  0.05190200    0.0017
          f =  0.01174957  0.01224863    0.0005
          ns   0.00426182  0.00280045   -0.0015
          ------------------------------------
          TOT  2.15844906  2.44286474    0.2844
                           4.60131380
   ========================== 
     17   s =  0.84503690  0.86661380    0.0216
          p =  1.24723267  1.50921162    0.2620
          d =  0.05016055  0.05190796    0.0017
          f =  0.01174671  0.01224656    0.0005
          ns   0.00427152  0.00281191   -0.0015
          ------------------------------------
          TOT  2.15844835  2.44279185    0.2843
                           4.60124020
   ========================== 
     18   s =  0.84503690  0.86661380    0.0216
          p =  1.24723267  1.50921162    0.2620
          d =  0.05016055  0.05190796    0.0017
          f =  0.01174671  0.01224656    0.0005
          ns   0.00427152  0.00281191   -0.0015
          ------------------------------------
          TOT  2.15844835  2.44279185    0.2843
                           4.60124021
   ========================== 
     19   s =  0.84507033  0.86664490    0.0216
          p =  1.24721125  1.50926877    0.2621
          d =  0.05015608  0.05190200    0.0017
          f =  0.01174957  0.01224863    0.0005
          ns   0.00426182  0.00280045   -0.0015
          ------------------------------------
          TOT  2.15844907  2.44286474    0.2844
                           4.60131380
   ========================== 
     20   s =  0.84502913  0.86661439    0.0216
          p =  1.24732825  1.50937103    0.2620
          d =  0.05016272  0.05191300    0.0018
          f =  0.01174860  0.01224651    0.0005
          ns   0.00426353  0.00280397   -0.0015
          ------------------------------------
          TOT  2.15853222  2.44294890    0.2844
                           4.60148112
   ========================== 
     21   s =  0.84502913  0.86661439    0.0216
          p =  1.24732825  1.50937103    0.2620
          d =  0.05016272  0.05191300    0.0018
          f =  0.01174860  0.01224651    0.0005
          ns   0.00426353  0.00280397   -0.0015
          ------------------------------------
          TOT  2.15853222  2.44294890    0.2844
                           4.60148112
   ========================== 
     22   s =  0.83566650  0.86047028    0.0248
          p =  1.27689876  1.54613749    0.2692
          d =  0.04771745  0.05071414    0.0030
          f =  0.01209914  0.01245103    0.0004
          ns   0.02426718  0.02168315   -0.0026
          ------------------------------------
          TOT  2.19664903  2.49145610    0.2948
                           4.68810513
   ========================== 
     23   s =  0.83566949  0.86047369    0.0248
          p =  1.27691844  1.54612388    0.2692
          d =  0.04771864  0.05071540    0.0030
          f =  0.01209814  0.01245308    0.0004
          ns   0.02426965  0.02168381   -0.0026
          ------------------------------------
          TOT  2.19667435  2.49144987    0.2948
                           4.68812423
   ========================== 
     24   s =  0.83566949  0.86047369    0.0248
          p =  1.27691843  1.54612388    0.2692
          d =  0.04771864  0.05071540    0.0030
          f =  0.01209814  0.01245308    0.0004
          ns   0.02426965  0.02168381   -0.0026
          ------------------------------------
          TOT  2.19667435  2.49144987    0.2948
                           4.68812422
 
############################################
 
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.564791
       spin moment in wigner seitz cell =    0.784860
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -0.435209
                              spin magnetic moment =     0.784860
 
  Atom    2 charge in wigner seitz cell =    1.365695
       spin moment in wigner seitz cell =    0.050746
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.365695
                              spin magnetic moment =     0.050746
 
  Atom    3 charge in wigner seitz cell =    1.364885
       spin moment in wigner seitz cell =    0.050753
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.364885
                              spin magnetic moment =     0.050753
 
  Atom    4 charge in wigner seitz cell =    1.364885
       spin moment in wigner seitz cell =    0.050753
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.364885
                              spin magnetic moment =     0.050753
 
  Atom    5 charge in wigner seitz cell =    1.022172
       spin moment in wigner seitz cell =    0.054060
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.022172
                              spin magnetic moment =     0.054060
 
  Atom    6 charge in wigner seitz cell =    1.022070
       spin moment in wigner seitz cell =    0.054006
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.022070
                              spin magnetic moment =     0.054006
 
  Atom    7 charge in wigner seitz cell =    1.022070
       spin moment in wigner seitz cell =    0.054006
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.022070
                              spin magnetic moment =     0.054006
 
  Atom    8 charge in wigner seitz cell =    1.318459
       spin moment in wigner seitz cell =    0.052380
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.318459
                              spin magnetic moment =     0.052380
 
  Atom    9 charge in wigner seitz cell =   49.589323
       spin moment in wigner seitz cell =    0.179722
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.410677
                              spin magnetic moment =     0.179722
 
  Atom   10 charge in wigner seitz cell =   49.588755
       spin moment in wigner seitz cell =    0.179673
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.411245
                              spin magnetic moment =     0.179673
 
  Atom   11 charge in wigner seitz cell =   49.588755
       spin moment in wigner seitz cell =    0.179673
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.411245
                              spin magnetic moment =     0.179673
 
  Atom   12 charge in wigner seitz cell =    1.326924
       spin moment in wigner seitz cell =    0.061463
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =     1.326924
                              spin magnetic moment =     0.061463
 
  Atom   13 charge in wigner seitz cell =   50.558333
       spin moment in wigner seitz cell =    0.315044
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.441667
                              spin magnetic moment =     0.315044
 
  Atom   14 charge in wigner seitz cell =   50.558376
       spin moment in wigner seitz cell =    0.315007
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.441624
                              spin magnetic moment =     0.315007
 
  Atom   15 charge in wigner seitz cell =   50.558376
       spin moment in wigner seitz cell =    0.315007
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.441624
                              spin magnetic moment =     0.315007
 
  Atom   16 charge in wigner seitz cell =   50.601311
       spin moment in wigner seitz cell =    0.284416
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.398689
                              spin magnetic moment =     0.284416
 
  Atom   17 charge in wigner seitz cell =   50.601238
       spin moment in wigner seitz cell =    0.284343
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.398762
                              spin magnetic moment =     0.284343
 
  Atom   18 charge in wigner seitz cell =   50.601238
       spin moment in wigner seitz cell =    0.284343
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.398762
                              spin magnetic moment =     0.284343
 
  Atom   19 charge in wigner seitz cell =   50.601311
       spin moment in wigner seitz cell =    0.284416
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.398689
                              spin magnetic moment =     0.284416
 
  Atom   20 charge in wigner seitz cell =   50.601479
       spin moment in wigner seitz cell =    0.284417
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.398521
                              spin magnetic moment =     0.284417
 
  Atom   21 charge in wigner seitz cell =   50.601479
       spin moment in wigner seitz cell =    0.284417
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.398521
                              spin magnetic moment =     0.284417
 
  Atom   22 charge in wigner seitz cell =   50.688103
       spin moment in wigner seitz cell =    0.294807
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.311897
                              spin magnetic moment =     0.294807
 
  Atom   23 charge in wigner seitz cell =   50.688123
       spin moment in wigner seitz cell =    0.294776
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.311877
                              spin magnetic moment =     0.294776
 
  Atom   24 charge in wigner seitz cell =   50.688123
       spin moment in wigner seitz cell =    0.294776
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  12 charge neutrality in unit cell =    -1.311877
                              spin magnetic moment =     0.294776
 
                    TOTAL mag. moment in unit cell =     5.287862
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:17:14:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:14:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  2.1203D-01  ,  v+ - v- =  3.4769D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.5985D-01  ,  v+ - v- =  3.6915D-03
      rms-error for atom  2 :v+ + v- =  3.9182D-02  ,  v+ - v- =  4.0154D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  3.9228D-02  ,  v+ - v- =  1.3949D-03
      rms-error for atom  3 :v+ + v- =  3.9458D-02  ,  v+ - v- =  4.0151D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  3.9767D-02  ,  v+ - v- =  1.3982D-03
      rms-error for atom  4 :v+ + v- =  3.9458D-02  ,  v+ - v- =  4.0151D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  3.9767D-02  ,  v+ - v- =  1.3982D-03
      rms-error for atom  5 :v+ + v- =  6.4886D-02  ,  v+ - v- =  4.7276D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  2.9089D-02  ,  v+ - v- =  8.5122D-04
      rms-error for atom  6 :v+ + v- =  6.4719D-02  ,  v+ - v- =  4.7278D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  2.9465D-02  ,  v+ - v- =  8.5302D-04
      rms-error for atom  7 :v+ + v- =  6.4719D-02  ,  v+ - v- =  4.7278D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  2.9465D-02  ,  v+ - v- =  8.5302D-04
      rms-error for atom  8 :v+ + v- =  4.9370D-02  ,  v+ - v- =  4.3884D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  3.3060D-02  ,  v+ - v- =  1.3351D-03
      rms-error for atom  9 :v+ + v- =  6.3338D-02  ,  v+ - v- =  4.6939D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  2.9697D-02  ,  v+ - v- =  8.8278D-04
      rms-error for atom 10 :v+ + v- =  6.3452D-02  ,  v+ - v- =  4.6940D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  2.9846D-02  ,  v+ - v- =  8.8219D-04
      rms-error for atom 11 :v+ + v- =  6.3452D-02  ,  v+ - v- =  4.6940D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  2.9846D-02  ,  v+ - v- =  8.8219D-04
      rms-error for atom 12 :v+ + v- =  7.8789D-02  ,  v+ - v- =  3.9626D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  2.4054D-02  ,  v+ - v- =  1.2425D-03
      rms-error for atom 13 :v+ + v- =  7.9533D-02  ,  v+ - v- =  3.8197D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  2.5697D-02  ,  v+ - v- =  9.7145D-04
      rms-error for atom 14 :v+ + v- =  7.9621D-02  ,  v+ - v- =  3.8198D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  2.5821D-02  ,  v+ - v- =  9.7295D-04
      rms-error for atom 15 :v+ + v- =  7.9621D-02  ,  v+ - v- =  3.8198D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  2.5821D-02  ,  v+ - v- =  9.7295D-04
      rms-error for atom 16 :v+ + v- =  6.4315D-02  ,  v+ - v- =  3.8548D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  2.2227D-02  ,  v+ - v- =  1.0678D-03
      rms-error for atom 17 :v+ + v- =  6.4211D-02  ,  v+ - v- =  3.8549D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  2.2214D-02  ,  v+ - v- =  1.0527D-03
      rms-error for atom 18 :v+ + v- =  6.4211D-02  ,  v+ - v- =  3.8549D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  2.2214D-02  ,  v+ - v- =  1.0527D-03
      rms-error for atom 19 :v+ + v- =  6.4315D-02  ,  v+ - v- =  3.8548D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  2.2227D-02  ,  v+ - v- =  1.0678D-03
      rms-error for atom 20 :v+ + v- =  6.4285D-02  ,  v+ - v- =  3.8548D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  2.2207D-02  ,  v+ - v- =  1.0793D-03
      rms-error for atom 21 :v+ + v- =  6.4285D-02  ,  v+ - v- =  3.8548D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  2.2207D-02  ,  v+ - v- =  1.0793D-03
      rms-error for atom 22 :v+ + v- =  6.5093D-02  ,  v+ - v- =  4.2058D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  2.1293D-02  ,  v+ - v- =  7.2050D-04
      rms-error for atom 23 :v+ + v- =  6.5055D-02  ,  v+ - v- =  4.2059D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  2.1330D-02  ,  v+ - v- =  7.2135D-04
      rms-error for atom 24 :v+ + v- =  6.5055D-02  ,  v+ - v- =  4.2059D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  2.1330D-02  ,  v+ - v- =  7.2135D-04
      ITERATION  12 average rms-error : v+ + v- =  8.7293D-02
                                        v+ - v- =  4.1581D-02
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.398748223309782E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.869599196160498E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.266543120258868E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.774082340518902E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.461199835157283E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.968352853810484E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.227497468116661E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.656541669860178E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.245576184711292E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.303966395787626E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.531056710180386E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.645195297217478E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.800006662460108E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.623390354810540E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.908704238943986E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  5.185134702137493E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.391682992215905E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.578825329854119E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.461779073572823E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.416072603464946E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.351131231837050E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.040197510031009E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.322938401894939E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  1.005495401319581E-006
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.037732457779144E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.632878670282905E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.274073586383547E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.142546336173309E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  9.070120125530194E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.742689535816654E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.226736998208085E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.303870956486443E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.115606169046772E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.942943692681798E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.960293719357092E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  6.378199067355967E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.584272002632322E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.398218492695587E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  4.420091622809838E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.624625362707722E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  6.706731765280169E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.853442889273214E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.231942891524422E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.479758409954869E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.220109742733715E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.942449702616864E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.822597875024753E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  1.025654679894597E-010
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  6.076104998931521E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  6.308638722355584E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.869636080646976E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.602411906876648E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.213985363244894E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.114466915715783E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  9.746144186450958E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  9.893660921088313E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.062191333942488E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.061152725503025E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  5.432989018018975E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.625718597248097E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.338443466247795E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  7.831086805201170E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.012567759142040E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  5.457062781510397E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  9.460280644349540E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  8.806940784722288E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  8.819462169459510E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  3.158444672584657E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  5.476322421974216E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  6.991425370994762E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  3.853227494795605E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  7.166753289460808E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  4.879655712988644E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  4.716725527737652E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  5.722558230575700E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  2.707976258784314E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  4.483463915054232E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  5.205185860456745E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  8.440507368036341E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  7.831086199579320E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.012174655755715E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  5.457062596874661E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  9.460281667555729E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  8.800782261293227E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  8.819461757372868E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  3.158444530977763E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  5.476322298438065E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  6.991425041543221E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  3.853917012192433E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  7.165691787078758E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  4.879655636799429E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  4.716725702381960E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  5.722557949995586E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  2.707976139537766E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  4.483268449445317E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  5.205185553396258E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  8.440508413084481E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  8.547665163108995E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  3.000344375920978E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.084253488808720E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  1.081301094907186E-003
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  4.338686720462128E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  1.191307658896671E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  1.128597035933906E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  6.375777397716935E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.325247353628412E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.860113321449799E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  9.244746193716998E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.441960570468990E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  5.689067388453407E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.159365459768751E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  8.449615389486620E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.496077283743710E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  8.387260896555965E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  3.525693377587188E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  2.641503280803026E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.290856964666556E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.525523692649902E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  1.021423976642501E-011
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.293956882374598E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.297179664898872E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.756192017530361E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  3.400801714338541E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  6.984914290903969E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  9.312512709548328E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.839415373298786E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  8.526543908083727E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.611108654486453E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  1.081273685324351E-003
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.946701060714428E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  1.193263270265931E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  8.688258719998253E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.018028973283844E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  7.302102651238846E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  4.911614443395190E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  4.617645988857453E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  7.990158997227797E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  2.841489135274472E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.440841208813361E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  4.216912517657395E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  3.990196693843972E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  8.394508512150959E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  2.643467571981816E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  3.311417793573452E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.338963649903981E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.349201956906041E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  5.856690063616831E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  7.384100220837489E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  8.046861149124593E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.698051938861089E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.955575913638793E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  4.653261599380007E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.460948898671183E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  4.262698762615271E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  1.014323343174866E-003
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  1.081273645785671E-003
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.946700802045456E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  1.193263226038442E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  8.688258492693063E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.017996974472324E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  7.302104013490224E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  4.911615248593560E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  4.617645860920342E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  7.990160580150638E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  2.841489093187022E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.441548228303124E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  4.216912443115376E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  3.990196492801951E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  8.394508282751086E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  2.643467419511487E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  3.311417571852601E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.338955499177140E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.350523167578658E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  5.856689946979250E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  7.384102649208651E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  8.046861756578895E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.698051844774632E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.955577455310064E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  4.653261478485728E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.460884740853591E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  4.262698629747426E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  1.014323610306319E-003
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.143970959545830E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.612986799080298E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.512644401932972E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.021345933535889E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.600881768229842E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.471433120504433E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.030340087312860E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.747236332447926E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.133429996268648E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.210190944675440E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.139052640968777E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.549440789335074E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.710562166563245E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.060764348590846E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.911014553236759E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.819296212885864E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.720418532516410E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.822356883532216E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.950284512211418E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.219866936839365E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.454224358102554E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.401102993963063E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.239264941175790E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.163391092984564E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.280063549069587E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.626690178649557E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.226118612850789E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164473830668227E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.139638976136365E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.008412966323269E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.839712609219839E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.306016590897743E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.041030181978355E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.585118838720177E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.447982696575716E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.406813123063955E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.239362440442752E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.063169365034479E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  9.556021530525082E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.887130492490537E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  6.374770921573874E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  6.231720636163836E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  1.944296853066784E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  2.176062318918058E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.626335916232337E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.215425216859962E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  5.593845861168937E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  7.784018209849611E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  6.398233126895404E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  8.706427574794342E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  5.397401647453346E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  4.933057148389747E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  6.307779128050402E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  6.085053419374472E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.119022683937545E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  4.894167492778505E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.348467019755435E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  8.549513806433741E-012
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.040835912672592E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  3.142790722942699E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.355491128053913E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  6.887229816300526E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  8.550943135594926E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.585512682271964E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  6.385866518992969E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.903725359045181E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  4.099285142907372E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  5.272643801618031E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  3.132488325577188E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  5.380525561140921E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.124712386561643E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  4.674429529231864E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  5.521765122050274E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  2.791443267420656E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  4.844085011897383E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  3.192363245635352E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.609504946066500E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  2.685596215409247E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  2.438791964258524E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  4.252389394467820E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  6.306869975155489E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  2.433764300951864E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.605474785598261E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  5.799907019403059E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  4.279181520381359E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.409823071613578E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.581741962053707E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  3.559151633032110E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  5.521625836635535E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  4.273250351045381E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  7.407972923799754E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  3.196504199855478E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.772789666993198E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  2.045424531921074E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  2.717766399946098E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  3.132488032851659E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  5.380525366421465E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.124805539740841E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  4.674430001364057E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  5.521766011380338E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  2.791443122452600E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  4.844086131737097E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  3.192363015154448E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.609681649104307E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  2.685595988153324E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  2.438791871871166E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  4.252389701234911E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  6.306869722221403E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  2.433764321747569E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.605505714963862E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  5.799906781885917E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  4.279181876395019E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.410897453896767E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.581742041414885E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  3.559152768578348E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  5.521625162878966E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  4.273250209968141E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  7.407973010934413E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  3.196504099936807E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.773507000136665E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  2.045424398085475E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  2.717764951703032E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  6.817993861921666E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  3.053711602242053E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.683632454254575E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  3.700053131670472E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  8.002316529342151E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  7.039306970237775E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.599335802933931E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  9.832987169964307E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.863152242640710E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.670464819070757E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.372398815808508E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.954214195301628E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.025521209464930E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.144614508090109E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.909504394355171E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.137768868819796E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.186039613801738E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  9.353215895546004E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.174108227762199E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.957886429757124E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.972942318118762E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.698587429866451E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.598981204183977E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.870523669357332E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.220558030641359E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.993497333468629E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.486889490492090E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.288747044704563E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  5.183450116154975E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.167815626784356E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.310810253875168E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  3.906287988172969E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.991246981018488E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.563725397915576E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.033996183647677E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.021989988127010E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.386332934326521E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.959876901528411E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.357855126028115E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.186340266762393E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  5.476199872410311E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.876003250945319E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  9.176094139451602E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.948187427419116E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.387380174657985E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.207315654551407E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  6.629607788964002E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.689508145411876E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.678897994270560E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.890269469230492E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  8.473479420215220E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.239760607049972E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.144271602122568E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.718464035713047E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  7.928931867741999E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  5.234932397417333E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.158076618825099E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  3.126671236091561E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  1.003079914150979E-010
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.043903745809324E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  1.736211852929790E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.729628999792541E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.124650091651674E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  1.634252428167658E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.603405842715378E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  2.192580069898912E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.809652323788984E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  8.717358400378308E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  4.765659407191026E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  2.759695991883939E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  3.531327347017413E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.146060062796286E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.639227464458319E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  3.327055833998905E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  5.753102743035150E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  3.516050694095332E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.441994609145684E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  9.423194563048067E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  4.292570984716058E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  2.714378343062833E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  4.551742475892013E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  8.671795003120761E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.488529753004093E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  2.624407436155537E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.318702349103596E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  1.568601035777446E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  7.366834436183339E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.847237259967079E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  8.701869516400018E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.906033525641377E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  8.186101922176397E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  1.419600256067414E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  1.098469659870636E-004
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  3.966821609313583E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  2.168218568490421E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  1.510142003499741E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  4.765655937714015E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  2.759695883092860E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  3.531327277778936E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.145532088931808E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.639229200639185E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  3.327055664353800E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  5.753105742550439E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  3.516050579446926E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.441871176024929E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  9.423194118998132E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  4.292570722820226E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  2.714377921403923E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  4.551743720469340E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  8.671794302547546E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.488530754484192E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  2.624407341098617E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.319826372625139E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  1.568600968956047E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  7.366826534062344E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.845841308200262E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  8.701869296137261E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.906033889491479E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  8.186101637484864E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  1.419600220257014E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  1.098469607771877E-004
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  3.965798818819463E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  2.168218482447729E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  1.510141870962490E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  9.088196590826658E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  2.067684923049211E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  3.458534535181166E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  5.262135272978873E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.536828607006549E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  1.718017963268031E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.100699264297906E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  2.954960189190389E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  6.108310249985581E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  8.591510861675535E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  8.374721044168792E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  6.497403866383691E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.333757896853210E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  3.017508591196212E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.591910015727069E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.471716350124072E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  7.473484197833614E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  3.250250625294514E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  5.430627459874490E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  6.154571550332503E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  9.879174511617575E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.757699041989219E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.764846305341398E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  7.088310879614629E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  1.037888636874486E-004
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  4.620431153500764E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  6.283807671718356E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  7.403898150257732E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  4.522868196152609E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  2.102873040294017E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  2.922838698784255E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  2.981662132841822E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  4.185303361619832E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  1.079752519049534E-004
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  4.938213724936828E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.866728164917539E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.251675285188159E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.053027512697591E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  3.248966369851597E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.205236041014677E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  9.526337157228681E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  2.951112696432710E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.591687033788619E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  9.675486397081574E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  3.328486797774746E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  1.017306251938398E-004
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  6.664250056103212E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  3.060209842975892E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  6.632035280638110E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.988278526508041E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  4.279959139524738E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  8.126816696575959E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  3.185610298878296E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  7.771128636134709E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  6.569600857780316E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.766913694715549E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  6.824344092194326E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.654875793346100E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  1.035108826161000E-004
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  7.936096545088604E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  4.279447925659656E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  3.382367505683905E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  3.167600375996382E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  3.969442914175444E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  7.363789024186673E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  2.949203315532316E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  6.314612520426577E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  9.007089317772301E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  4.938208592962332E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.866728101427285E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.251668007270874E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.053033033564018E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  3.248966127721875E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.205236953651237E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  9.526337669557049E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  2.951110890584736E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.591684116010389E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  9.675494022450271E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  3.328486439312204E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  1.017302858731658E-004
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  6.664248530959526E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  3.060223236316129E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  6.632033755876461E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.988278230346944E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  4.279969208004730E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  8.126794336189256E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  3.185609122384519E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  7.771116029089558E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  6.569600174066396E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.766927164800722E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  6.824342283017856E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.654873648277957E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  1.035106911580657E-004
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  7.936095177867764E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  4.279451447358111E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  3.382360803033213E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  3.167599825919234E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  3.969433235924775E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  7.363787889525071E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  2.949193442723038E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  6.314610779708712E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  9.007072556591410E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  9.088197466420800E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  2.067677729035764E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  3.458534285601445E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  5.262124987104848E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.536828652351327E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  1.718016771533282E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.100699357593769E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  2.954961455738571E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  6.108294643215977E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  8.591520440409933E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  8.374720261540996E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  6.497371556969692E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.333758647723846E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  3.017495798756339E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.591909766121815E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.471716152540881E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  7.473498700717359E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  3.250253277528675E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  5.430627351392447E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  6.154558648338679E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  9.879173498386700E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.757685547882090E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.764846157772446E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  7.088293487383877E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  1.037890310815933E-004
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  4.620430681637537E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  6.283813839880060E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  7.403891075506156E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  4.522867563714492E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  2.102877749467595E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  2.922838404679185E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  2.981671363903780E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  4.185303462214357E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  1.079750872748591E-004
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.582917445718308E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.665920089430892E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.833057424706659E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.342567490876789E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.157276241519852E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.122760509299848E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  3.953633866942503E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  2.987885430833149E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  2.959696030351975E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  1.217780372140523E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  6.491764711209697E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  9.210352695774526E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  4.724371770620183E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  1.043997665442421E-004
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  3.061163250880640E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  1.152212135458916E-004
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  1.303102419543782E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  4.582029637483708E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  9.139235573906559E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  7.917657227264464E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  2.299627636064456E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  4.532277747347920E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.843870951346615E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  6.807528670297281E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  9.192648318583580E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  1.035614007739197E-004
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  1.108741294076313E-004
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  5.333967851438312E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  5.555462124724123E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  2.560481408669011E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  4.125160435671174E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  5.929579013616337E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  2.965413873511030E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  5.633280916198084E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  3.983442750797300E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.582917583776058E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.665916592051180E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.833057353311130E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.342571831420938E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.157277058597734E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.122760428270920E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  3.953634831615348E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  2.987885385941918E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  2.959697488889533E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  1.217777789180735E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  6.491763149879659E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  9.210352721219085E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  4.724348062375893E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  1.043997695265990E-004
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  3.061150567713767E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  1.152212106837014E-004
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  1.303102429356476E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  4.582012954094849E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  9.139216041151370E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  7.917657537528416E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  2.299619399285147E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  4.532277772368274E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.843857719742167E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  6.807528819449949E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  9.192628560802978E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  1.035615775442567E-004
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  1.108741309951443E-004
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  5.333961994301846E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  5.555467329375535E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  2.560481441676457E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  4.125149876012963E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  5.929578911482089E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  2.965423267292792E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  5.633280723095129E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  3.983450821583752E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  5.636378898494462E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.282887527625787E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.880200107869296E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  2.606487297356103E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.351149279461602E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  1.785702196980304E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  3.261571833848556E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  1.182023300207788E-011
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  2.747078590565023E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  5.012351922271278E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.220263386962813E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.693820008380796E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  3.096311404705032E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.415240376001615E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.197673126061962E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.395222603690466E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  5.049889810079806E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  3.745968981401701E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  1.619426038255925E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  5.517767604839025E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.211146757151413E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  2.228684994288223E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  2.297287886777922E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  3.990131052746948E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  9.339189628893478E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.900498790921768E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.578726865580390E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  8.672356188401589E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.700214586131846E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  8.001079501843367E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.580317298078228E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.258722755200055E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  1.328779229019795E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.416015764901309E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  1.071025229460593E-004
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.237633069567969E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  5.467980358456911E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.406759213192470E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  2.220886570092059E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  1.873666094350858E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  3.324787757393200E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.290474162319612E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.360162602967134E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.377187318289219E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.604756017651543E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  2.847612570182018E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.384908063471967E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.947022035055934E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  4.673096424425274E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  1.007930171040844E-004
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.572872846999470E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  2.769568646920633E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  5.867809836921916E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.436515793664103E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  2.658798517851399E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.891269681339831E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  2.133314590045192E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  5.556240516915059E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  8.185334556664482E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  1.100090808679806E-004
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  2.288516605146631E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.938033386961453E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.712022165957951E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.489142026790141E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.295121053875568E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  3.274772322777918E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.910024882183893E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  4.019697524305208E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  5.219486204421620E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  9.511270737312577E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  6.701978577512112E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  1.181732646647167E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  5.480442732470728E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.618389714747482E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  2.947544562640038E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  6.961220379861324E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  2.220880063773582E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  1.873665907946704E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  3.324775955805474E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.290474192841326E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.360162653191486E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.377187574196498E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.604755948401399E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  2.847612333846637E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.384908120144400E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.947084595945515E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  4.673071912883742E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  1.007930271800338E-004
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.572872775195737E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  2.769563855936498E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  5.867809928029578E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.437656941395286E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  2.658798277900567E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.891269708321602E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  2.133313938401342E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  5.556241163351737E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  8.185337211394827E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  1.100090789805067E-004
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  2.288516359993912E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.938033338670476E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.712021904195271E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.489149393553097E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.295121379792588E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  3.274773027885230E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.910205066357035E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  4.019697558751037E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  5.219455023681768E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  9.511245483380385E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  6.701978164128333E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  1.181732425703775E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  5.480442470833600E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.603367353629742E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  2.947544361786087E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  6.961192143947967E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.203410716582250E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.878874337262854E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  2.829766938054405E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.311452504491084E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.563466942743997E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.230468019505015E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  9.003675905206385E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.953898072807749E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.182041346669386E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  3.126179546879261E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.686236417013115E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.622419069460339E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.704182675440800E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.682115487711649E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.903507971317796E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.771561885705653E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.603164113870319E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  3.461341667889893E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.419959036509606E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.399180906875409E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.255897951213571E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  9.972946476449579E-007
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  8.360965738665378E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  9.858985602787154E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.553497377971579E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.427457178816439E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.130571972456891E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.114162637491241E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  6.399373721848808E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.072090206755183E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.903148620634750E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  1.035070923271287E-006
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.531033459205166E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.829345723109692E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.974903003865547E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.167590529692576E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  9.124806624323692E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.483885513749577E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.913889198822691E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.008534028617816E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.228230421935070E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.953920895937084E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.432696710085083E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.627022215018492E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.223856245883375E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.037686736959313E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.018099265057280E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.065879256185064E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  6.102370540913353E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  6.846085706863901E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  4.988731537343277E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.555502495237143E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.024429659029000E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.101484808551966E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  1.062141703372381E-003
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  1.033631715384539E-010
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.056816314233095E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.138455168081639E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  5.731633376573496E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.681570612006354E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.444639809507008E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  7.448539881898500E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.688533662784559E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  5.819046289364367E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  1.009274337845520E-003
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  2.932317736003399E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  9.747615436635376E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  3.418401966240518E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  5.928218955991608E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  6.939995827749513E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.736946832816520E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  5.774913409589670E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  5.318937139447947E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  4.975984152956052E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  5.918089699732237E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  2.857812673955093E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.361677533519309E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  5.396997415201741E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  9.202063438123979E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  7.448539380902982E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.688098064197448E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  5.819046124447386E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  1.009274450606819E-003
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.927170213478549E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  9.747615126193519E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  3.418401855152683E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  5.928218738940762E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  6.939995532674125E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.737117904855351E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  5.773899434803384E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  5.318937070354824E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  4.975984406865556E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  5.918089449860742E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  2.857812564225755E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.361339825946311E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  5.396997141801532E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  9.202064587551912E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  1.068022641945898E-010
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  3.549785325489103E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.668527263090262E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  1.098641789513628E-003
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  4.727979248750554E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  1.252318417867574E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.370919245900446E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  7.529935513023821E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.364847309777845E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.038023188217466E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  9.890865587150464E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.480837331958066E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  6.229648626467590E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.246885797463185E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  8.817946930385073E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.475730062283388E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  8.397358519478055E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  4.081228544148187E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  3.025059996099507E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.509167361608307E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.593131468211699E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.249986028766100E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.181811772155752E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.402391459690080E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.603435675128420E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  3.514407100930985E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.090722896841868E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  1.003813805314662E-003
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.892827495145652E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  9.194232576316475E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.783206260342505E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  1.098291002991192E-003
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.608360133464116E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  1.253992653991101E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  8.881870366754141E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.145682381129037E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  7.621865785697372E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  5.380285981610378E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  4.937393342454604E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  8.547811099372838E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  3.114696097109037E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  4.005024794013882E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  4.398638113815673E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  3.851292275461757E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  8.404522326250409E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  3.028353483618428E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  3.454602436070780E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.510079524994884E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.244206867260807E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  6.228899373400763E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  7.961986920892825E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  8.673391270160176E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.754670342754918E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  3.054063609538654E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  5.012445287876744E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.682759641183390E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  4.593825138338578E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  1.079302022883870E-003
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  1.098290971475727E-003
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.608359766333588E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  1.253992629668449E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  8.881870140669151E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.145655612487231E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  7.621867437681900E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  5.380286969862946E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  4.937393140747224E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  8.547812799764026E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  3.114696019052930E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  4.005752067881874E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  4.398637997675114E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  3.851292108042342E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  8.404522116974724E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  3.028353304496747E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  3.454602251817644E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.510070415479591E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.245570795105002E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  6.228899192093644E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  7.961989524099328E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  8.673392044605092E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.754670230016119E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  3.054065163513243E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  5.012445120675675E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.682646645796852E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  4.593824953413733E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  1.079302310590479E-003
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.433081983455794E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  9.940790461784082E-011
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.693540697131322E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.847188442538715E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.169397633932475E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.252812701941349E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.030599734971717E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.560056025631848E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.262914076474362E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.803287521374831E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.208063275149781E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.626811963939744E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.932079368667327E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  8.852813214508806E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.987037454605564E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.202846454287981E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.824289577125634E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.204393594765219E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.266416731061143E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.689841274885966E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.802687793859589E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.571497097190474E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.403880722889762E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.511950920222971E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.379950762069125E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.174833334613293E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.926623602947793E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.171347886151630E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  9.595996454227988E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.078455216431079E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.309680138655157E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.285846552125729E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.513168749258841E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.802819426481121E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.467264159416329E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.778015971567527E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.327985534956508E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  4.523655737353540E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  9.818045724088927E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.368254995447011E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  8.194794872052054E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  7.411195722122907E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.691174741886167E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  1.527043393165009E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.223350912194774E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  8.624887105576708E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  5.923047333927615E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.117660271092308E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  6.104950456330607E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  9.215674208596124E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  5.198620676827284E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  4.722061283262043E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  6.002750270007147E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  9.228364037027573E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  5.904490394514248E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  4.408654871125472E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.698057957698747E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  8.864791666934816E-012
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.336834853603437E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  2.875476526608471E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.841660875021239E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.250680603642470E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  8.938979063240699E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.751600245159262E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  6.737131005489927E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.774554409561961E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  4.109995229694251E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  5.032546679937372E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  3.722877926743721E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  6.395936383173563E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.787830752093960E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  4.503913550350538E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  5.266181687869487E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  2.955673319349658E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  5.128718397444629E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  3.045763464901817E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.030806112067377E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  2.585579997900113E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  2.331994148002972E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  3.832751232200134E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  6.619361340437797E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  2.190427890827260E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.775736568689637E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  5.508464131263169E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  4.096941007226895E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  4.935886460132123E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.447091348653041E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  3.568652798193517E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  5.823787811607360E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  4.466577436368592E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  7.743186220947654E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  3.372224139451688E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.258140569310167E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  2.050644390063828E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  2.485274042059487E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  3.722877543889194E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  6.395936447232725E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.787916373934152E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  4.503914083956338E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  5.266182589546414E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  2.955673191954197E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  5.128719579725948E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  3.045763304709014E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.030976279815060E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  2.585579825960297E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  2.331994066057125E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  3.832751528675440E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  6.619361093914474E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  2.190427898178354E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.775765060793840E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  5.508463961014054E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  4.096941297381544E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  4.936983009680129E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.447091387474592E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  3.568653868186529E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  5.823787168012632E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  4.466577293356269E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  7.743186340077480E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  3.372224052343930E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.258867630924017E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  2.050644274793656E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  2.485272727421896E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  6.101175085395811E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.921593288782188E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.926979126319675E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  3.930615567101255E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.130846120781000E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  8.967235167131095E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.414148691010406E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  8.642614184418245E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.128151237087062E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.850718733758433E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.616682647849338E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.061861562498999E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.021444442758698E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  7.472436196037031E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.921046552503857E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.057271969442745E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.219187670281557E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  1.008504157470577E-006
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.105505230940542E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.027702424378565E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.608852824303496E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.079887476974182E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.957611630353943E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.785078293100642E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.329669472341416E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.939968275706705E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.660055092458690E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287353301412154E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  5.443454663420069E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.580708436200719E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.545467880787120E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.800593789290424E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.565876245074110E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.555933277851082E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.033982659753301E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.073759624762212E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.618192124736313E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.980633663048764E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.338092416116208E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.795651278075354E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  5.596312620855000E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.753202810306241E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.849988321988998E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.932153848703730E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.358292828369385E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.160295422490902E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  6.364824333001638E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.610040037631795E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.008836842822066E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.444358878306011E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  9.205086074915479E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.262669556263663E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.150423061095315E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.427860319010542E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.797488179314213E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  5.642312886526455E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.103103314377504E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  2.662818082929285E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.027084328981506E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  9.991927403148240E-011
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  1.799611662756126E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  7.087957658468573E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  2.990733376962627E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  1.625359217053015E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.512477816560944E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  2.237333707353851E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.566847787916698E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.439555033278645E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  4.870915102995855E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  2.814818752392016E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  3.876015981961951E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.850319301221497E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  2.119290252296294E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  3.197223029119424E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  5.524677523990261E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  3.182364785944164E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.352730082267085E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.218250872672175E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.543015168854514E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  2.314208189522313E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  4.906206662238975E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  7.227681128964465E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  1.236795551617607E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  2.827634909466155E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.201546192518933E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  1.336084634096053E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  7.990931099690951E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.648942841318185E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  9.013727740615701E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.945524014910417E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  8.134208087223038E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  1.412009060975521E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  1.119994258732737E-004
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.717735054890492E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  1.751304988935893E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  1.565682084009654E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  4.870911892844005E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  2.814818633617437E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  3.876015834408726E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.849991330938502E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  2.119292458815884E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  3.197222861882019E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  5.524680397717627E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  3.182364678055488E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.352624755309143E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.218250805645494E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.543015084751151E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  2.314208663545681E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  4.906208019853258E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  7.227680577103724E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  1.236796716661235E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  2.827634787046776E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.202655510156411E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  1.336084576384362E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  7.990942567036046E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.647615944745680E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  9.013727429522085E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.945524316521011E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  8.134207737529235E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  1.412009397822668E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  1.119994203490355E-004
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.716792001367087E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  1.751304923183393E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  1.565681884183233E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.874974619895260E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.311053408530285E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.359456305996889E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.069025920183918E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  3.085556454494052E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  2.475805660663761E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  8.930032572369922E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  2.835421002927608E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.550276368671154E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  1.026490745306975E-004
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  8.806009296360161E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  4.557265785068833E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.175685476581086E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  2.914070198417527E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  5.195972724996857E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  3.437021076724420E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.058202981720338E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  4.840858376194419E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  6.765606371124633E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  4.740575583390181E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  4.728172734564136E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.853700223730117E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.147285770956342E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  9.919013049551548E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  9.792538960807647E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  3.133694810847592E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  5.377224178233525E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  1.732375574818762E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.655005753975088E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  2.265245401134103E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.288613245652556E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  2.949326876182675E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  9.542799323169931E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  7.137128538782088E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  3.048016278046018E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.244251918695708E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  8.208608921370938E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  4.920144361484584E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  3.702740067706767E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.395238880242558E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.296095608520727E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  2.833360215071262E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  1.061708227487191E-004
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.212374879386882E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.146290356020964E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  5.536206435399211E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  9.250908049523781E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  2.939966709917124E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.254162411236877E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  7.218330801500902E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  9.305472351583491E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.133752619390872E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  6.312844017930782E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  5.463334287214226E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  6.360480474451127E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.855084584137542E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  7.035046965842244E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  8.090842282894990E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  9.771879466122243E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  5.721751181930051E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  5.507948517001175E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  2.716951032221951E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  3.119606497014786E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.431211310161575E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  2.481099813225011E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  2.922667290966791E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  9.201964329496951E-005
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  5.659230663845806E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  3.048011321759551E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.244251855748308E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  8.208553250426705E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  4.920143661284585E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  3.702739810099304E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.395240077748867E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.296095673381390E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  2.833358458031483E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  1.061705803250787E-004
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.212376049374042E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.146290841636938E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  5.536175670778777E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  9.250907973752002E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  2.939979166566843E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.254162515816282E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  7.218330234618915E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  9.305494655491521E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.133749060903027E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  6.312843946905340E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  5.463326774302083E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  6.360480565299866E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.855097310084570E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  7.035048108795408E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  8.090822435219040E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  9.771860577405109E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  5.721750012005896E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  5.507958286883385E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  2.716944017335449E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  3.119606280694975E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.431220584973716E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  2.481100214783969E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  2.922657538867150E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  9.201965596214498E-005
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  5.659215596129116E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.874974716456437E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.311060993507630E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.359456435267923E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.069024677891218E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  3.085556455028998E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  2.475804419022996E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  8.930034130926011E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  2.835422025259128E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.550274413456499E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  1.026491143566322E-004
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  8.806008255911115E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  4.557291383310982E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.175685629374644E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  2.914057993456441E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  5.195971646700188E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  3.437019373707536E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.058200526318203E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  4.840852493591604E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  6.765606206129526E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  4.740562877170146E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  4.728173375628803E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.853687424792199E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.147285925086698E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  9.918994624632865E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  9.792554772416788E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  3.133694676211267E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  5.377214412651401E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  1.732379085056078E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.655006406026450E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  2.265243052494522E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.288613630543946E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  2.949335887050675E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  9.542800536948597E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  7.137112186000405E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.763627586372572E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  3.123853591622406E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.509295479351024E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.008387696087907E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.230534374541849E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  5.883948324803664E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  3.951205125860543E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  6.506283133491826E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  2.832077911334389E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  7.259413178764909E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.020875936563317E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  1.071398255563817E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  9.449332954792563E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.220712238795242E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  2.965284794920139E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  1.431619873396944E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  9.831616042249454E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.055872490434415E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.414831948517398E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  4.116833083595060E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  7.168056526626841E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  2.230790423491264E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.932875923741511E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  5.552758416747143E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  3.240048247084710E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  9.746438907350743E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  6.972830929934457E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.080910288409875E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.074233388580745E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.199908249784480E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.402802526306260E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  1.876630118823974E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  2.924626779155049E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.114037954948482E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.590260571442456E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.763627610567172E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  3.123857925924679E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.509295194314518E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.008380352009001E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.230535452698589E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  5.883947940953496E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  3.951206285483416E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  6.506282427452008E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  2.832079296715488E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  7.259423556800857E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.020876764038248E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  1.071398377895845E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  9.449305169573345E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.220712264837005E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  2.965272687692117E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  1.431619907513204E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  9.831615935244975E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.055874413895182E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.414835851519848E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  4.116832853612685E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  7.168060127522078E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  2.230790334199599E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.932863187348301E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  5.552757882617463E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  3.240064371258871E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  9.746456197178131E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  6.972830717991020E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.080911262767023E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.074225754270785E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.199908232218420E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.402808478204921E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  1.876629845918194E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  2.924636122292177E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.114037813980670E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.590271477875680E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  6.236156234827412E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.794701526753962E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.525498841727229E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.817231751858374E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.529307995045298E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  5.807910156478778E-012
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  2.123976862534925E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  6.514605040736993E-012
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.427663749497735E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.169042842441196E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.241462966351873E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.893507122700906E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  2.939064616264567E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.540223078790834E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.661858075649430E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.823516782361700E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.496110603736429E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  4.317072060095667E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.061579175620865E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.408185645028551E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  1.968797559741016E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.827080565482201E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.621792269108681E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  2.612682206474582E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  4.293494097546056E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  5.062284369913716E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.406688462822625E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  7.010810987638187E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.538779064651984E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  3.533182302243433E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.628002793348144E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.285310495348161E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.403717398977405E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.406154341759246E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  1.085455362751476E-004
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.114473290047234E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  3.529935145493817E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.364024325160625E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.556869588094958E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.771000719118761E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  3.148190525558582E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  8.964344448148860E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.529919087004545E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  2.092482593031715E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  1.038743457232870E-004
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.863758464562211E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.225809323222457E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.191392395751268E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  1.825043665320867E-005
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.409898747878356E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  1.503202777962339E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  2.650843668101951E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  8.174794167125978E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.710777711464199E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  1.007751307153747E-005
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  2.157907442199281E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.199476926664071E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.410306098060154E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  3.715395920277021E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  9.002905998636423E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.570219440138319E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.590536930080582E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  2.162816981825520E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.837771373771143E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  7.044377821702712E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  3.673538038947089E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.220338249749542E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.787842078433328E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  3.602743173081728E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  9.671516525341888E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  7.088398062472161E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  1.248931566150644E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  5.569416202128126E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.174228286113252E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  2.013583678354540E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  3.120878128846490E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.556864651596154E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.771001069452546E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  3.148178344600508E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  8.964344092318475E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.529919060608450E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  2.092482723273154E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  1.038743295629615E-004
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.863758302475978E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.225809431521189E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.191453418366752E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  1.825022420095643E-005
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.409898965108970E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  1.503202810163570E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  2.650839003785782E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  8.174794230438498E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.711799418502931E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  1.007751643814401E-005
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  2.157907520659770E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.199476740686905E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.410306106103501E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  3.715396872838719E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  9.002905513405273E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.570218977656324E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.590536886169564E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  2.162817078858942E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.837558144592401E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  7.044378128402996E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  3.673537298569102E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.220733741013539E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.787842292420400E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  3.602712646541733E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  9.671491825115610E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  7.088397984735276E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  1.248931982776880E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  5.569416344163825E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.161119242683206E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  2.013584007058745E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  3.120852100829803E-005
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.35561493 p = -3227.41258536
                                d =  -843.10086789 f =   -22.90433291
       valence  contribution :  s =    -0.07547381 p =    -0.02212704
                                d =    -0.24628083 f =    -0.00229360
                                ns      0.00307930
     single particle energies  spin  up    
         core   contribution :  s = -6845.13404765 p = -3229.28213993
                                d =  -844.65286248 f =   -23.99461991
       valence  contribution :  s =    -0.10607247 p =    -0.03022661
                                d =    -0.77242485 f =    -0.00309189
                                ns      0.00595468
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21882.08602818
                                   band energy per atom :   -1.2489571153

     coulomb  contribution :   0  13825.40614870  1      0.01060425
                               2      0.00075143  3     -0.00144496
                               4      0.00261023  5      0.00003922
                               6     -0.00002633
     --------------------------------------------------------------------
     tot. coulomb contribution :  13825.41868254

     ex.-cor. contribution :   0   -674.70179120  1      0.00875430
                               2      0.00230225  3     -0.00794607
                               4     -0.00796439  5      0.00235280
                               6      0.00005454
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.70423777

     eff. pot. contribution     : -26909.56495041
     total double counting contribution                 : -13758.85050564

   Total contribution of atom  1 =-35640.93653382
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07748604 p =    -0.08963564
                                d =    -0.03936181 f =    -0.01195341
                                ns      0.03656785
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10016372 p =    -0.11598278
                                d =    -0.05466561 f =    -0.01909825
                                ns      0.05127010
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42050932
                                   band energy per atom :   -0.4205093205

     coulomb  contribution :   0     -0.14452200  1      0.00260046
                               2      0.00910408  3      0.00198004
                               4      0.00008499  5      0.00042263
                               6      0.00001940
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13031040

     ex.-cor. contribution :   0     -0.69318009  1     -0.00066554
                               2      0.05239936  3      0.00987566
                               4      0.01913322  5      0.00392197
                               6      0.00048780
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60802762

     eff. pot. contribution     :     -0.46458343
     total double counting contribution                 :     -1.20292145

   Total contribution of atom  2 =    -1.62343077
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07740319 p =    -0.08952995
                                d =    -0.03932526 f =    -0.01194003
                                ns      0.03648710
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10006279 p =    -0.11583633
                                d =    -0.05460291 f =    -0.01907435
                                ns      0.05115290
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42013479
                                   band energy per atom :   -0.4201347938

     coulomb  contribution :   0     -0.14479356  1      0.00261883
                               2      0.00911493  3      0.00197318
                               4      0.00009400  5      0.00042441
                               6      0.00001952
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13054870

     ex.-cor. contribution :   0     -0.69249550  1     -0.00068084
                               2      0.05233595  3      0.00985862
                               4      0.01907090  5      0.00391491
                               6      0.00048546
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60751050

     eff. pot. contribution     :     -0.46426937
     total double counting contribution                 :     -1.20232857

   Total contribution of atom  3 =    -1.62246336
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07740319 p =    -0.08952995
                                d =    -0.03932526 f =    -0.01194003
                                ns      0.03648710
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10006279 p =    -0.11583633
                                d =    -0.05460291 f =    -0.01907435
                                ns      0.05115290
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42013480
                                   band energy per atom :   -0.4201347974

     coulomb  contribution :   0     -0.14479356  1      0.00261883
                               2      0.00911493  3      0.00197318
                               4      0.00009400  5      0.00042441
                               6      0.00001952
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13054870

     ex.-cor. contribution :   0     -0.69249549  1     -0.00068084
                               2      0.05233595  3      0.00985862
                               4      0.01907090  5      0.00391491
                               6      0.00048546
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60751050

     eff. pot. contribution     :     -0.46426937
     total double counting contribution                 :     -1.20232857

   Total contribution of atom  4 =    -1.62246337
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04777361 p =    -0.05826419
                                d =    -0.02671686 f =    -0.00838882
                                ns      0.00802211
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06202170 p =    -0.07326946
                                d =    -0.03450234 f =    -0.01159439
                                ns      0.01019139
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30431787
                                   band energy per atom :   -0.3043178691

     coulomb  contribution :   0     -0.09878186  1     -0.00091369
                               2     -0.00040772  3     -0.00003370
                               4      0.00068215  5      0.00010680
                               6      0.00021811
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09912993

     ex.-cor. contribution :   0     -0.42360116  1     -0.00015121
                               2     -0.00033809  3     -0.00003052
                               4      0.01739103  5      0.00001300
                               6      0.00113321
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40558374

     eff. pot. contribution     :     -0.44463349
     total double counting contribution                 :     -0.94934715

   Total contribution of atom  5 =    -1.25366502
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04777188 p =    -0.05828070
                                d =    -0.02672618 f =    -0.00838809
                                ns      0.00802317
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06201088 p =    -0.07328284
                                d =    -0.03451378 f =    -0.01159461
                                ns      0.01019223
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30435358
                                   band energy per atom :   -0.3043535768

     coulomb  contribution :   0     -0.09864259  1     -0.00091256
                               2     -0.00040781  3     -0.00003276
                               4      0.00067658  5      0.00010700
                               6      0.00021721
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09899494

     ex.-cor. contribution :   0     -0.42355536  1     -0.00015270
                               2     -0.00033386  3     -0.00003107
                               4      0.01739398  5      0.00001326
                               6      0.00112902
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40553673

     eff. pot. contribution     :     -0.44459662
     total double counting contribution                 :     -0.94912829

   Total contribution of atom  6 =    -1.25348187
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04777188 p =    -0.05828070
                                d =    -0.02672618 f =    -0.00838809
                                ns      0.00802317
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06201089 p =    -0.07328284
                                d =    -0.03451378 f =    -0.01159461
                                ns      0.01019223
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30435358
                                   band energy per atom :   -0.3043535788

     coulomb  contribution :   0     -0.09864259  1     -0.00091256
                               2     -0.00040781  3     -0.00003276
                               4      0.00067658  5      0.00010700
                               6      0.00021721
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09899494

     ex.-cor. contribution :   0     -0.42355536  1     -0.00015270
                               2     -0.00033387  3     -0.00003107
                               4      0.01739398  5      0.00001326
                               6      0.00112902
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40553674

     eff. pot. contribution     :     -0.44459662
     total double counting contribution                 :     -0.94912829

   Total contribution of atom  7 =    -1.25348187
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07062759 p =    -0.08261039
                                d =    -0.03389583 f =    -0.00885410
                                ns      0.01652085
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09092219 p =    -0.10641640
                                d =    -0.04667462 f =    -0.01356416
                                ns      0.02209604
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41494839
                                   band energy per atom :   -0.4149483892

     coulomb  contribution :   0     -0.14199186  1     -0.00152143
                               2     -0.00239461  3      0.00277046
                               4      0.00123587  5      0.00023964
                               6      0.00019324
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.14146869

     ex.-cor. contribution :   0     -0.61697702  1      0.00231117
                               2      0.00359622  3      0.00060707
                               4      0.02993791  5      0.00091838
                               6      0.00053294
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.57907334

     eff. pot. contribution     :     -0.44627413
     total double counting contribution                 :     -1.16681615

   Total contribution of atom  8 =    -1.58176454
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.49131814 p = -1089.61036606
                                d =  -190.57998253
       valence  contribution :  s =    -0.45389145 p =    -0.16602462
                                d =    -0.01448793 f =    -0.00433811
                                ns     -0.00272376
     single particle energies  spin  up    
         core   contribution :  s = -2636.11033193 p = -1091.00357624
                                d =  -192.12546456
       valence  contribution :  s =    -0.56335774 p =    -0.24215704
                                d =    -0.02045271 f =    -0.00604543
                                ns     -0.00327137
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.39778962
                                   band energy per atom :   -1.4767501567

     coulomb  contribution :   0   5103.52702376  1     -0.00014682
                               2      0.00049652  3      0.00169277
                               4     -0.00824168  5     -0.00000274
                               6      0.00009820
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.52092000

     ex.-cor. contribution :   0   -329.21532412  1     -0.00003800
                               2     -0.00029855  3      0.00354488
                               4     -0.01869200  5      0.00001499
                               6      0.00034879
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.23044401

     eff. pot. contribution     :  -9892.05053824
     total double counting contribution                 :  -5117.76006225

   Total contribution of atom  9 =-12954.15785186
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.49146859 p = -1089.61069779
                                d =  -190.58033590
       valence  contribution :  s =    -0.45383279 p =    -0.16595724
                                d =    -0.01449073 f =    -0.00434087
                                ns     -0.00272605
     single particle energies  spin  up    
         core   contribution :  s = -2636.11048220 p = -1091.00390754
                                d =  -192.12581721
       valence  contribution :  s =    -0.56330126 p =    -0.24205308
                                d =    -0.02045511 f =    -0.00604907
                                ns     -0.00327583
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.39919126
                                   band energy per atom :   -1.4764820261

     coulomb  contribution :   0   5103.50914799  1     -0.00014810
                               2      0.00049416  3      0.00169576
                               4     -0.00825314  5     -0.00000203
                               6      0.00009841
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.50303305

     ex.-cor. contribution :   0   -329.21481260  1     -0.00003892
                               2     -0.00030200  3      0.00354483
                               4     -0.01871520  5      0.00001575
                               6      0.00034923
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.22995890

     eff. pot. contribution     :  -9892.03073758
     total double counting contribution                 :  -5117.75766344

   Total contribution of atom 10 =-12954.15685470
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.49146859 p = -1089.61069780
                                d =  -190.58033591
       valence  contribution :  s =    -0.45383279 p =    -0.16595724
                                d =    -0.01449074 f =    -0.00434087
                                ns     -0.00272605
     single particle energies  spin  up    
         core   contribution :  s = -2636.11048222 p = -1091.00390754
                                d =  -192.12581721
       valence  contribution :  s =    -0.56330126 p =    -0.24205308
                                d =    -0.02045511 f =    -0.00604907
                                ns     -0.00327583
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.39919129
                                   band energy per atom :   -1.4764820289

     coulomb  contribution :   0   5103.50914815  1     -0.00014810
                               2      0.00049416  3      0.00169576
                               4     -0.00825314  5     -0.00000203
                               6      0.00009841
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.50303320

     ex.-cor. contribution :   0   -329.21481263  1     -0.00003892
                               2     -0.00030197  3      0.00354264
                               4     -0.01871329  5      0.00001575
                               6      0.00034923
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.22995919

     eff. pot. contribution     :  -9892.03073771
     total double counting contribution                 :  -5117.75766370

   Total contribution of atom 11 =-12954.15685499
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08590579 p =    -0.10619091
                                d =    -0.04890753 f =    -0.01457120
                                ns      0.04997795
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10624723 p =    -0.12792816
                                d =    -0.06011911 f =    -0.01908480
                                ns      0.06246402
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45651277
                                   band energy per atom :   -0.4565127692

     coulomb  contribution :   0     -0.19965179  1     -0.00164562
                               2      0.00009222  3      0.00203946
                               4      0.00314466  5      0.00074493
                               6      0.00003321
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.19524292

     ex.-cor. contribution :   0     -0.66684383  1     -0.00130249
                               2      0.05081405  3      0.00894668
                               4      0.01944768  5      0.00407182
                               6      0.00027027
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58459580

     eff. pot. contribution     :     -0.40050211
     total double counting contribution                 :     -1.18034083

   Total contribution of atom 12 =    -1.63685360
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68367325 p = -1151.04378578
                                d =  -209.49955620
       valence  contribution :  s =    -0.60200143 p =    -0.22113704
                                d =    -0.01372274 f =    -0.00362919
                                ns      0.00137186
     single particle energies  spin  up    
         core   contribution :  s = -2756.30334599 p = -1152.43874273
                                d =  -211.04804721
       valence  contribution :  s =    -0.71221492 p =    -0.33702506
                                d =    -0.01493872 f =    -0.00373610
                                ns      0.00126834
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92291614
                                   band energy per atom :   -1.9057649967

     coulomb  contribution :   0   5304.11404297  1      0.00127023
                               2     -0.00106029  3     -0.00412824
                               4     -0.00573259  5      0.00064503
                               6     -0.00000111
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.10503600

     ex.-cor. contribution :   0   -339.80429029  1      0.01204014
                               2     -0.00318505  3     -0.01497786
                               4     -0.01429646  5      0.00225825
                               6     -0.00000649
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82245776

     eff. pot. contribution     : -10306.72592750
     total double counting contribution                 :  -5342.44334926

   Total contribution of atom 13 =-13580.36626540
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68380611 p = -1151.04408492
                                d =  -209.49988815
       valence  contribution :  s =    -0.60199788 p =    -0.22116029
                                d =    -0.01372074 f =    -0.00362920
                                ns      0.00136978
     single particle energies  spin  up    
         core   contribution :  s = -2756.30347874 p = -1152.43904171
                                d =  -211.04837892
       valence  contribution :  s =    -0.71221128 p =    -0.33705033
                                d =    -0.01493662 f =    -0.00373594
                                ns      0.00126531
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92448574
                                   band energy per atom :   -1.9058071868

     coulomb  contribution :   0   5304.11673085  1      0.00128197
                               2     -0.00106502  3     -0.00412473
                               4     -0.00573613  5      0.00064591
                               6     -0.00000110
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.10773176

     ex.-cor. contribution :   0   -339.80434417  1      0.01203927
                               2     -0.00319542  3     -0.01493793
                               4     -0.01429647  5      0.00225945
                               6     -0.00000637
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82248163

     eff. pot. contribution     : -10306.72680626
     total double counting contribution                 :  -5342.44155613

   Total contribution of atom 14 =-13580.36604187
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68380606 p = -1151.04408492
                                d =  -209.49988815
       valence  contribution :  s =    -0.60199788 p =    -0.22116029
                                d =    -0.01372074 f =    -0.00362920
                                ns      0.00136978
     single particle energies  spin  up    
         core   contribution :  s = -2756.30347880 p = -1152.43904171
                                d =  -211.04837892
       valence  contribution :  s =    -0.71221128 p =    -0.33705033
                                d =    -0.01493662 f =    -0.00373594
                                ns      0.00126531
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.92448574
                                   band energy per atom :   -1.9058071871

     coulomb  contribution :   0   5304.11673096  1      0.00128197
                               2     -0.00106502  3     -0.00412473
                               4     -0.00573613  5      0.00064591
                               6     -0.00000110
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.10773187

     ex.-cor. contribution :   0   -339.80434422  1      0.01203927
                               2     -0.00319547  3     -0.01495191
                               4     -0.01428384  5      0.00225945
                               6     -0.00000637
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.82248308

     eff. pot. contribution     : -10306.72680637
     total double counting contribution                 :  -5342.44155758

   Total contribution of atom 15 =-13580.36604332
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69137762 p = -1151.06267985
                                d =  -209.52361697
       valence  contribution :  s =    -0.60644568 p =    -0.22567570
                                d =    -0.01346046 f =    -0.00350912
                                ns      0.00000204
     single particle energies  spin  up    
         core   contribution :  s = -2756.31092158 p = -1152.45728623
                                d =  -211.07145125
       valence  contribution :  s =    -0.71596902 p =    -0.34235122
                                d =    -0.01506935 f =    -0.00383853
                                ns      0.00022463
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04342591
                                   band energy per atom :   -1.9260924124

     coulomb  contribution :   0   5305.76444563  1      0.00227529
                               2     -0.00131556  3     -0.00406089
                               4     -0.00564225  5      0.00058867
                               6     -0.00001795
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.75627293

     ex.-cor. contribution :   0   -339.84876145  1      0.01196519
                               2     -0.00388426  3     -0.01370162
                               4     -0.01400766  5      0.00204581
                               6     -0.00003559
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86637958

     eff. pot. contribution     : -10308.26314472
     total double counting contribution                 :  -5342.37325137

   Total contribution of atom 16 =-13580.41667729
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69124008 p = -1151.06236765
                                d =  -209.52326596
       valence  contribution :  s =    -0.60640014 p =    -0.22568214
                                d =    -0.01345980 f =    -0.00350864
                                ns     -0.00000138
     single particle energies  spin  up    
         core   contribution :  s = -2756.31078380 p = -1152.45697342
                                d =  -211.07109907
       valence  contribution :  s =    -0.71591614 p =    -0.34235128
                                d =    -0.01506943 f =    -0.00383820
                                ns      0.00022038
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04173676
                                   band energy per atom :   -1.9260067741

     coulomb  contribution :   0   5305.75594137  1      0.00226193
                               2     -0.00131283  3     -0.00406391
                               4     -0.00564196  5      0.00058800
                               6     -0.00001786
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.74775474

     ex.-cor. contribution :   0   -339.84859881  1      0.01196308
                               2     -0.00387215  3     -0.01371344
                               4     -0.01400794  5      0.00204604
                               6     -0.00003546
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86621869

     eff. pot. contribution     : -10308.25667573
     total double counting contribution                 :  -5342.37513967

   Total contribution of atom 17 =-13580.41687642
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69124006 p = -1151.06236765
                                d =  -209.52326596
       valence  contribution :  s =    -0.60640014 p =    -0.22568214
                                d =    -0.01345980 f =    -0.00350864
                                ns     -0.00000138
     single particle energies  spin  up    
         core   contribution :  s = -2756.31078383 p = -1152.45697342
                                d =  -211.07109908
       valence  contribution :  s =    -0.71591614 p =    -0.34235128
                                d =    -0.01506943 f =    -0.00383820
                                ns      0.00022038
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04173677
                                   band energy per atom :   -1.9260067759

     coulomb  contribution :   0   5305.75594150  1      0.00226193
                               2     -0.00131283  3     -0.00406391
                               4     -0.00564196  5      0.00058800
                               6     -0.00001786
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.74775487

     ex.-cor. contribution :   0   -339.84859878  1      0.01196308
                               2     -0.00387214  3     -0.01370997
                               4     -0.01400933  5      0.00204604
                               6     -0.00003546
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86621656

     eff. pot. contribution     : -10308.25667584
     total double counting contribution                 :  -5342.37513753

   Total contribution of atom 18 =-13580.41687430
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69137764 p = -1151.06267985
                                d =  -209.52361697
       valence  contribution :  s =    -0.60644568 p =    -0.22567570
                                d =    -0.01346046 f =    -0.00350912
                                ns      0.00000204
     single particle energies  spin  up    
         core   contribution :  s = -2756.31092157 p = -1152.45728623
                                d =  -211.07145124
       valence  contribution :  s =    -0.71596902 p =    -0.34235122
                                d =    -0.01506935 f =    -0.00383853
                                ns      0.00022463
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04342591
                                   band energy per atom :   -1.9260924131

     coulomb  contribution :   0   5305.76444588  1      0.00227529
                               2     -0.00131556  3     -0.00406089
                               4     -0.00564225  5      0.00058867
                               6     -0.00001795
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.75627318

     ex.-cor. contribution :   0   -339.84876146  1      0.01196519
                               2     -0.00388422  3     -0.01369452
                               4     -0.01401392  5      0.00204582
                               6     -0.00003559
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86637871

     eff. pot. contribution     : -10308.26314499
     total double counting contribution                 :  -5342.37325051

   Total contribution of atom 19 =-13580.41667643
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69134355 p = -1151.06260328
                                d =  -209.52353243
       valence  contribution :  s =    -0.60643050 p =    -0.22574962
                                d =    -0.01345790 f =    -0.00350790
                                ns      0.00000372
     single particle energies  spin  up    
         core   contribution :  s = -2756.31088761 p = -1152.45720995
                                d =  -211.07136725
       valence  contribution :  s =    -0.71594911 p =    -0.34242740
                                d =    -0.01506686 f =    -0.00383708
                                ns      0.00022501
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04314172
                                   band energy per atom :   -1.9261976402

     coulomb  contribution :   0   5305.76565792  1      0.00225408
                               2     -0.00130522  3     -0.00405858
                               4     -0.00564532  5      0.00058822
                               6     -0.00001778
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.75747332

     ex.-cor. contribution :   0   -339.84887649  1      0.01195876
                               2     -0.00386204  3     -0.01368889
                               4     -0.01402714  5      0.00204646
                               6     -0.00003542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86648477

     eff. pot. contribution     : -10308.26485297
     total double counting contribution                 :  -5342.37386441

   Total contribution of atom 20 =-13580.41700613
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.69134353 p = -1151.06260328
                                d =  -209.52353244
       valence  contribution :  s =    -0.60643050 p =    -0.22574962
                                d =    -0.01345790 f =    -0.00350790
                                ns      0.00000372
     single particle energies  spin  up    
         core   contribution :  s = -2756.31088762 p = -1152.45720996
                                d =  -211.07136726
       valence  contribution :  s =    -0.71594911 p =    -0.34242740
                                d =    -0.01506686 f =    -0.00383708
                                ns      0.00022501
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04314173
                                   band energy per atom :   -1.9261976414

     coulomb  contribution :   0   5305.76565778  1      0.00225408
                               2     -0.00130522  3     -0.00405858
                               4     -0.00564532  5      0.00058822
                               6     -0.00001778
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.75747318

     ex.-cor. contribution :   0   -339.84887647  1      0.01195876
                               2     -0.00386202  3     -0.01368890
                               4     -0.01402725  5      0.00204646
                               6     -0.00003542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86648484

     eff. pot. contribution     : -10308.26485279
     total double counting contribution                 :  -5342.37386446

   Total contribution of atom 21 =-13580.41700619
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64901355 p = -1150.96396833
                                d =  -209.40226773
       valence  contribution :  s =    -0.58950370 p =    -0.20679500
                                d =    -0.01173077 f =    -0.00316585
                                ns     -0.00917325
     single particle energies  spin  up    
         core   contribution :  s = -2756.26859820 p = -1152.35872607
                                d =  -210.95156687
       valence  contribution :  s =    -0.70337333 p =    -0.32863368
                                d =    -0.01333626 f =    -0.00352099
                                ns     -0.00988818
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.47326177
                                   band energy per atom :   -1.8791210166

     coulomb  contribution :   0   5317.54947604  1      0.00003077
                               2     -0.00332517  3     -0.00000809
                               4     -0.00681929  5      0.00000135
                               6      0.00001415
     --------------------------------------------------------------------
     tot. coulomb contribution :   5317.53936976

     ex.-cor. contribution :   0   -339.87375283  1     -0.00002610
                               2     -0.00975938  3     -0.00069132
                               4     -0.04133161  5     -0.00000029
                               6      0.00016053
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.92540100

     eff. pot. contribution     : -10320.71063959
     total double counting contribution                 :  -5343.09667083

   Total contribution of atom 22 =-13580.56993260
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64895636 p = -1150.96384132
                                d =  -209.40213031
       valence  contribution :  s =    -0.58949379 p =    -0.20678613
                                d =    -0.01173009 f =    -0.00316526
                                ns     -0.00917437
     single particle energies  spin  up    
         core   contribution :  s = -2756.26854082 p = -1152.35859835
                                d =  -210.95142812
       valence  contribution :  s =    -0.70336264 p =    -0.32861553
                                d =    -0.01333679 f =    -0.00352097
                                ns     -0.00988846
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.47256932
                                   band energy per atom :   -1.8790740313

     coulomb  contribution :   0   5317.54975170  1      0.00003075
                               2     -0.00332311  3     -0.00000815
                               4     -0.00681876  5      0.00000133
                               6      0.00001414
     --------------------------------------------------------------------
     tot. coulomb contribution :   5317.53964790

     ex.-cor. contribution :   0   -339.87376515  1     -0.00002612
                               2     -0.00975964  3     -0.00069241
                               4     -0.04126664  5     -0.00000029
                               6      0.00016060
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.92534965

     eff. pot. contribution     : -10320.71168279
     total double counting contribution                 :  -5343.09738454

   Total contribution of atom 23 =-13580.56995385
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.64895642 p = -1150.96384132
                                d =  -209.40213031
       valence  contribution :  s =    -0.58949379 p =    -0.20678613
                                d =    -0.01173009 f =    -0.00316526
                                ns     -0.00917437
     single particle energies  spin  up    
         core   contribution :  s = -2756.26854072 p = -1152.35859835
                                d =  -210.95142812
       valence  contribution :  s =    -0.70336264 p =    -0.32861553
                                d =    -0.01333679 f =    -0.00352097
                                ns     -0.00988846
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.47256929
                                   band energy per atom :   -1.8790740321

     coulomb  contribution :   0   5317.54975160  1      0.00003075
                               2     -0.00332311  3     -0.00000815
                               4     -0.00681876  5      0.00000133
                               6      0.00001414
     --------------------------------------------------------------------
     tot. coulomb contribution :   5317.53964780

     ex.-cor. contribution :   0   -339.87376510  1     -0.00002612
                               2     -0.00975934  3     -0.00068738
                               4     -0.04128198  5     -0.00000029
                               6      0.00016060
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.92535961

     eff. pot. contribution     : -10320.71168268
     total double counting contribution                 :  -5343.09739449

   Total contribution of atom 24 =-13580.56996378
                                   sum of band energies :  -31.6351785296
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.56501735
                                eV  : -3231113.07151308
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:17:15:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           13
25.03.2020 20:17:15:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   4.388207751577849E-010  5.351163923235524E-007
  0.820138087153223     
 magnetic moment2 is   4.388197170306747E-010  5.351163949900385E-007
 -0.150209988410674     
 magnetic moment is   6.080278164635744E-011 -3.018116612722304E-003
  4.937924069550870E-002
 magnetic moment2 is   6.080278164635744E-011 -3.018116612722304E-003
 -1.767505126836516E-002
 magnetic moment is  -2.611418559502876E-003  1.514004662030450E-003
  4.938369481038829E-002
 magnetic moment2 is  -2.611418559502876E-003  1.514004662030450E-003
 -1.768693364128351E-002
 magnetic moment is   2.611418543651095E-003  1.514004472956696E-003
  4.938369473478266E-002
 magnetic moment2 is   2.611418543651095E-003  1.514004472956696E-003
 -1.768693405495456E-002
 magnetic moment is  -2.680880289897963E-011  5.207183802227110E-004
  5.222836090000654E-002
 magnetic moment2 is  -2.680880289897963E-011  5.207183802227110E-004
 -2.283127316213983E-002
 magnetic moment is   4.607106774414972E-004 -2.691582733813252E-004
  5.217496111178666E-002
 magnetic moment2 is   4.607106774414972E-004 -2.691582733813252E-004
 -2.287445884654305E-002
 magnetic moment is  -4.607104046041425E-004 -2.691580674246591E-004
  5.217496204524352E-002
 magnetic moment2 is  -4.607104046041425E-004 -2.691580674246591E-004
 -2.287445819872370E-002
 magnetic moment is  -4.262515327065021E-011 -1.279726938316292E-006
  5.029299119331065E-002
 magnetic moment2 is  -4.262515327065021E-011 -1.279726938316292E-006
 -2.507184687215075E-002
 magnetic moment is  -1.907302688182455E-010 -3.172040959067176E-003
  0.171290573697983     
 magnetic moment2 is  -1.907465795557284E-010 -3.177584741798711E-003
 -0.128229541985544     
 magnetic moment is  -2.751302297546044E-003  1.583776343954121E-003
  0.171248226868616     
 magnetic moment2 is  -2.756104489840153E-003  1.586543764768972E-003
 -0.128275185109870     
 magnetic moment is   2.751302927734043E-003  1.583776593802828E-003
  0.171248227312328     
 magnetic moment2 is   2.756105120277202E-003  1.586544014454192E-003
 -0.128275184918600     
 magnetic moment is   1.355759847567877E-011  5.720918264786041E-007
  5.920220793011055E-002
 magnetic moment2 is   1.355759847567877E-011  5.720918264786041E-007
 -1.463360147138237E-002
 magnetic moment is   1.093971623358780E-010  1.013954697394969E-003
  0.303711380368119     
 magnetic moment2 is   1.093965091040691E-010  1.015685338400611E-003
  2.045916964032292E-002
 magnetic moment is   8.790002898795740E-004 -5.093004680897061E-004
  0.303672332876426     
 magnetic moment2 is   8.805102980973280E-004 -5.101756378103259E-004
  2.042449122387734E-002
 magnetic moment is  -8.790001797505584E-004 -5.093004817933887E-004
  0.303672331983702     
 magnetic moment2 is  -8.805101882528166E-004 -5.101756514836386E-004
  2.042449035936543E-002
 magnetic moment is  -1.299554395586041E-007  1.247198138358071E-003
  0.273532273603215     
 magnetic moment2 is  -1.825419272754539E-007  1.247265801422099E-003
 -7.354558794408994E-003
 magnetic moment is   1.083714568166047E-003 -6.202132141475372E-004
  0.273462312927197     
 magnetic moment2 is   1.083746653645221E-003 -6.202904786976643E-004
 -7.426459028806773E-003
 magnetic moment is  -1.083714459516992E-003 -6.202130610437093E-004
  0.273462313557218     
 magnetic moment2 is  -1.083746545022827E-003 -6.202903255871278E-004
 -7.426458405192682E-003
 magnetic moment is   1.303785818721100E-007  1.247198282207729E-003
  0.273532270484520     
 magnetic moment2 is   1.829650329283981E-007  1.247265945281552E-003
 -7.354561750034683E-003
 magnetic moment is   1.076989854763053E-003 -6.224761726866376E-004
  0.273530129251615     
 magnetic moment2 is   1.077071420151638E-003 -6.224705677955991E-004
 -7.358177583857775E-003
 magnetic moment is  -1.076989446060238E-003 -6.224764227931293E-004
  0.273530133062481     
 magnetic moment2 is  -1.077071011464882E-003 -6.224708179035374E-004
 -7.358173944361376E-003
 magnetic moment is  -1.853351838589524E-010 -1.734056158675189E-004
  0.282598344678614     
 magnetic moment2 is  -1.853839756265621E-010 -1.737103429453668E-004
 -1.850217649022456E-002
 magnetic moment is  -1.460578203243708E-004  8.922810362130176E-005
  0.282580661954699     
 magnetic moment2 is  -1.460576765925202E-004  8.922806660036973E-005
 -1.851841504453909E-002
 magnetic moment is   1.460577827390627E-004  8.922824348875155E-005
  0.282580665970078     
 magnetic moment2 is   1.460576390056712E-004  8.922820646802820E-005
 -1.851841117795155E-002
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.35463812  0.38992675    0.0353
          p =  0.09749476  0.11892030    0.0214
          d =  3.37950949  4.13915752    0.7596
          f =  0.00911945  0.00994340    0.0008
          ns  -0.02139843 -0.01844650    0.0030
          ------------------------------------
          TOT  3.81936339  4.63950148    0.8201
                           8.45886486
   ========================== 
      2   s =  0.24041643  0.26039094    0.0200
          p =  0.31095147  0.33256264    0.0216
          d =  0.16364668  0.17783173    0.0142
          f =  0.05933464  0.06923257    0.0099
          ns  -0.11561727 -0.13190669   -0.0163
          ------------------------------------
          TOT  0.65873195  0.70811119    0.0494
                           1.36684313
   ========================== 
      3   s =  0.24029118  0.26030066    0.0200
          p =  0.31064690  0.33227059    0.0216
          d =  0.16347966  0.17762539    0.0141
          f =  0.05927819  0.06915193    0.0099
          ns  -0.11536881 -0.13163777   -0.0163
          ------------------------------------
          TOT  0.65832711  0.70771080    0.0494
                           1.36603791
   ========================== 
      4   s =  0.24029117  0.26030066    0.0200
          p =  0.31064690  0.33227059    0.0216
          d =  0.16347966  0.17762539    0.0141
          f =  0.05927819  0.06915193    0.0099
          ns  -0.11536881 -0.13163777   -0.0163
          ------------------------------------
          TOT  0.65832711  0.70771080    0.0494
                           1.36603791
   ========================== 
      5   s =  0.15781936  0.17837336    0.0206
          p =  0.20847236  0.22758674    0.0191
          d =  0.10729651  0.11806485    0.0108
          f =  0.03644828  0.04178891    0.0053
          ns  -0.02381116 -0.02736015   -0.0035
          ------------------------------------
          TOT  0.48622534  0.53845370    0.0522
                           1.02467905
   ========================== 
      6   s =  0.15774775  0.17828152    0.0205
          p =  0.20846301  0.22754872    0.0191
          d =  0.10733692  0.11809574    0.0108
          f =  0.03645895  0.04180111    0.0053
          ns  -0.02381074 -0.02735625   -0.0035
          ------------------------------------
          TOT  0.48619589  0.53837085    0.0522
                           1.02456674
   ========================== 
      7   s =  0.15774775  0.17828152    0.0205
          p =  0.20846301  0.22754872    0.0191
          d =  0.10733692  0.11809574    0.0108
          f =  0.03645895  0.04180111    0.0053
          ns  -0.02381074 -0.02735625   -0.0035
          ------------------------------------
          TOT  0.48619589  0.53837085    0.0522
                           1.02456675
   ========================== 
      8   s =  0.21054550  0.23030292    0.0198
          p =  0.28411973  0.30375068    0.0196
          d =  0.14316906  0.15620711    0.0130
          f =  0.03997802  0.04778379    0.0078
          ns  -0.04198751 -0.05192672   -0.0099
          ------------------------------------
          TOT  0.63582480  0.68611779    0.0503
                           1.32194259
   ========================== 
      9   s =  0.80150524  0.85388451    0.0524
          p =  0.79436416  0.90595335    0.1116
          d =  0.08682953  0.09182204    0.0050
          f =  0.02066086  0.02235868    0.0017
          ns   0.01043154  0.01106331    0.0006
          ------------------------------------
          TOT  1.71379132  1.88508189    0.1713
                           3.59887321
   ========================== 
     10   s =  0.80154236  0.85389970    0.0524
          p =  0.79403733  0.90559831    0.1116
          d =  0.08682995  0.09182819    0.0050
          f =  0.02067153  0.02236981    0.0017
          ns   0.01045129  0.01108469    0.0006
          ------------------------------------
          TOT  1.71353247  1.88478069    0.1712
                           3.59831316
   ========================== 
     11   s =  0.80154236  0.85389970    0.0524
          p =  0.79403733  0.90559831    0.1116
          d =  0.08682995  0.09182819    0.0050
          f =  0.02067153  0.02236981    0.0017
          ns   0.01045129  0.01108469    0.0006
          ------------------------------------
          TOT  1.71353247  1.88478070    0.1712
                           3.59831316
   ========================== 
     12   s =  0.23102743  0.25588800    0.0249
          p =  0.30809310  0.33419248    0.0261
          d =  0.15832184  0.17528131    0.0170
          f =  0.05073173  0.05941597    0.0087
          ns  -0.11219968 -0.12960113   -0.0174
          ------------------------------------
          TOT  0.63597442  0.69517663    0.0592
                           1.33115105
   ========================== 
     13   s =  0.84409862  0.86547237    0.0214
          p =  1.22464752  1.50738534    0.2827
          d =  0.05037747  0.05142554    0.0010
          f =  0.01191807  0.01208639    0.0002
          ns   0.00259177  0.00097519   -0.0016
          ------------------------------------
          TOT  2.13363345  2.43734483    0.3037
                           4.57097828
   ========================== 
     14   s =  0.84407809  0.86546167    0.0214
          p =  1.22470241  1.50739218    0.2827
          d =  0.05037963  0.05142775    0.0010
          f =  0.01191904  0.01208640    0.0002
          ns   0.00260370  0.00098721   -0.0016
          ------------------------------------
          TOT  2.13368286  2.43735520    0.3037
                           4.57103806
   ========================== 
     15   s =  0.84407809  0.86546167    0.0214
          p =  1.22470241  1.50739218    0.2827
          d =  0.05037963  0.05142775    0.0010
          f =  0.01191904  0.01208640    0.0002
          ns   0.00260370  0.00098721   -0.0016
          ------------------------------------
          TOT  2.13368287  2.43735520    0.3037
                           4.57103806
   ========================== 
     16   s =  0.84574502  0.86647037    0.0207
          p =  1.25708421  1.50914113    0.2521
          d =  0.05028409  0.05196153    0.0017
          f =  0.01178439  0.01226097    0.0005
          ns   0.00425964  0.00285563   -0.0014
          ------------------------------------
          TOT  2.16915735  2.44268962    0.2735
                           4.61184697
   ========================== 
     17   s =  0.84571123  0.86643878    0.0207
          p =  1.25708971  1.50907032    0.2520
          d =  0.05028918  0.05196790    0.0017
          f =  0.01178165  0.01225900    0.0005
          ns   0.00426994  0.00286803   -0.0014
          ------------------------------------
          TOT  2.16914171  2.44260402    0.2735
                           4.61174573
   ========================== 
     18   s =  0.84571123  0.86643878    0.0207
          p =  1.25708971  1.50907032    0.2520
          d =  0.05028918  0.05196790    0.0017
          f =  0.01178165  0.01225900    0.0005
          ns   0.00426994  0.00286803   -0.0014
          ------------------------------------
          TOT  2.16914171  2.44260403    0.2735
                           4.61174574
   ========================== 
     19   s =  0.84574502  0.86647037    0.0207
          p =  1.25708422  1.50914113    0.2521
          d =  0.05028409  0.05196153    0.0017
          f =  0.01178439  0.01226097    0.0005
          ns   0.00425964  0.00285563   -0.0014
          ------------------------------------
          TOT  2.16915735  2.44268962    0.2735
                           4.61184698
   ========================== 
     20   s =  0.84570309  0.86643892    0.0207
          p =  1.25719772  1.50923701    0.2520
          d =  0.05029131  0.05197302    0.0017
          f =  0.01178337  0.01225883    0.0005
          ns   0.00426171  0.00285953   -0.0014
          ------------------------------------
          TOT  2.16923719  2.44276732    0.2735
                           4.61200451
   ========================== 
     21   s =  0.84570309  0.86643892    0.0207
          p =  1.25719771  1.50923701    0.2520
          d =  0.05029131  0.05197302    0.0017
          f =  0.01178337  0.01225883    0.0005
          ns   0.00426171  0.00285953   -0.0014
          ------------------------------------
          TOT  2.16923719  2.44276732    0.2735
                           4.61200451
   ========================== 
     22   s =  0.83646447  0.86028533    0.0238
          p =  1.28744984  1.54543812    0.2580
          d =  0.04786567  0.05079028    0.0029
          f =  0.01213330  0.01246874    0.0003
          ns   0.02423441  0.02176357   -0.0025
          ------------------------------------
          TOT  2.20814769  2.49074603    0.2826
                           4.69889372
   ========================== 
     23   s =  0.83646701  0.86028867    0.0238
          p =  1.28745391  1.54542219    0.2580
          d =  0.04786678  0.05079155    0.0029
          f =  0.01213236  0.01247080    0.0003
          ns   0.02423667  0.02176418   -0.0025
          ------------------------------------
          TOT  2.20815673  2.49073739    0.2826
                           4.69889412
   ========================== 
     24   s =  0.83646701  0.86028867    0.0238
          p =  1.28745391  1.54542219    0.2580
          d =  0.04786678  0.05079155    0.0029
          f =  0.01213236  0.01247080    0.0003
          ns   0.02423667  0.02176418   -0.0025
          ------------------------------------
          TOT  2.20815673  2.49073739    0.2826
                           4.69889412
 
############################################
 
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.458862
       spin moment in wigner seitz cell =    0.820138
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -0.541138
                              spin magnetic moment =     0.820138
 
  Atom    2 charge in wigner seitz cell =    1.366841
       spin moment in wigner seitz cell =    0.049379
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.366841
                              spin magnetic moment =     0.049379
 
  Atom    3 charge in wigner seitz cell =    1.366036
       spin moment in wigner seitz cell =    0.049384
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.366036
                              spin magnetic moment =     0.049384
 
  Atom    4 charge in wigner seitz cell =    1.366036
       spin moment in wigner seitz cell =    0.049384
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.366036
                              spin magnetic moment =     0.049384
 
  Atom    5 charge in wigner seitz cell =    1.024678
       spin moment in wigner seitz cell =    0.052228
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.024678
                              spin magnetic moment =     0.052228
 
  Atom    6 charge in wigner seitz cell =    1.024566
       spin moment in wigner seitz cell =    0.052175
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.024566
                              spin magnetic moment =     0.052175
 
  Atom    7 charge in wigner seitz cell =    1.024566
       spin moment in wigner seitz cell =    0.052175
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.024566
                              spin magnetic moment =     0.052175
 
  Atom    8 charge in wigner seitz cell =    1.321939
       spin moment in wigner seitz cell =    0.050293
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.321939
                              spin magnetic moment =     0.050293
 
  Atom    9 charge in wigner seitz cell =   49.598870
       spin moment in wigner seitz cell =    0.171291
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.401130
                              spin magnetic moment =     0.171291
 
  Atom   10 charge in wigner seitz cell =   49.598310
       spin moment in wigner seitz cell =    0.171248
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.401690
                              spin magnetic moment =     0.171248
 
  Atom   11 charge in wigner seitz cell =   49.598310
       spin moment in wigner seitz cell =    0.171248
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.401690
                              spin magnetic moment =     0.171248
 
  Atom   12 charge in wigner seitz cell =    1.331149
       spin moment in wigner seitz cell =    0.059202
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =     1.331149
                              spin magnetic moment =     0.059202
 
  Atom   13 charge in wigner seitz cell =   50.570976
       spin moment in wigner seitz cell =    0.303711
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.429024
                              spin magnetic moment =     0.303711
 
  Atom   14 charge in wigner seitz cell =   50.571036
       spin moment in wigner seitz cell =    0.303672
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.428964
                              spin magnetic moment =     0.303672
 
  Atom   15 charge in wigner seitz cell =   50.571036
       spin moment in wigner seitz cell =    0.303672
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.428964
                              spin magnetic moment =     0.303672
 
  Atom   16 charge in wigner seitz cell =   50.611844
       spin moment in wigner seitz cell =    0.273532
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.388156
                              spin magnetic moment =     0.273532
 
  Atom   17 charge in wigner seitz cell =   50.611743
       spin moment in wigner seitz cell =    0.273462
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.388257
                              spin magnetic moment =     0.273462
 
  Atom   18 charge in wigner seitz cell =   50.611743
       spin moment in wigner seitz cell =    0.273462
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.388257
                              spin magnetic moment =     0.273462
 
  Atom   19 charge in wigner seitz cell =   50.611844
       spin moment in wigner seitz cell =    0.273532
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.388156
                              spin magnetic moment =     0.273532
 
  Atom   20 charge in wigner seitz cell =   50.612002
       spin moment in wigner seitz cell =    0.273530
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.387998
                              spin magnetic moment =     0.273530
 
  Atom   21 charge in wigner seitz cell =   50.612002
       spin moment in wigner seitz cell =    0.273530
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.387998
                              spin magnetic moment =     0.273530
 
  Atom   22 charge in wigner seitz cell =   50.698892
       spin moment in wigner seitz cell =    0.282598
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.301108
                              spin magnetic moment =     0.282598
 
  Atom   23 charge in wigner seitz cell =   50.698892
       spin moment in wigner seitz cell =    0.282581
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.301108
                              spin magnetic moment =     0.282581
 
  Atom   24 charge in wigner seitz cell =   50.698892
       spin moment in wigner seitz cell =    0.282581
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  13 charge neutrality in unit cell =    -1.301108
                              spin magnetic moment =     0.282581
 
                    TOTAL mag. moment in unit cell =     5.148009
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:20:49:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:49:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.7339D-01  ,  v+ - v- =  3.2939D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.6167D-01  ,  v+ - v- =  3.5688D-03
      rms-error for atom  2 :v+ + v- =  3.4804D-02  ,  v+ - v- =  3.8652D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  3.1421D-02  ,  v+ - v- =  1.2981D-03
      rms-error for atom  3 :v+ + v- =  3.5066D-02  ,  v+ - v- =  3.8650D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  3.1975D-02  ,  v+ - v- =  1.3009D-03
      rms-error for atom  4 :v+ + v- =  3.5066D-02  ,  v+ - v- =  3.8650D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  3.1975D-02  ,  v+ - v- =  1.3009D-03
      rms-error for atom  5 :v+ + v- =  5.8345D-02  ,  v+ - v- =  4.5520D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  2.3611D-02  ,  v+ - v- =  7.8725D-04
      rms-error for atom  6 :v+ + v- =  5.8190D-02  ,  v+ - v- =  4.5522D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  2.4008D-02  ,  v+ - v- =  7.8943D-04
      rms-error for atom  7 :v+ + v- =  5.8190D-02  ,  v+ - v- =  4.5522D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  2.4008D-02  ,  v+ - v- =  7.8943D-04
      rms-error for atom  8 :v+ + v- =  4.0513D-02  ,  v+ - v- =  4.2263D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  2.6049D-02  ,  v+ - v- =  1.1772D-03
      rms-error for atom  9 :v+ + v- =  5.2773D-02  ,  v+ - v- =  4.5233D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  2.3440D-02  ,  v+ - v- =  8.1932D-04
      rms-error for atom 10 :v+ + v- =  5.2886D-02  ,  v+ - v- =  4.5233D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  2.3596D-02  ,  v+ - v- =  8.1895D-04
      rms-error for atom 11 :v+ + v- =  5.2886D-02  ,  v+ - v- =  4.5233D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  2.3596D-02  ,  v+ - v- =  8.1895D-04
      rms-error for atom 12 :v+ + v- =  7.0025D-02  ,  v+ - v- =  3.8178D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  2.1819D-02  ,  v+ - v- =  1.1293D-03
      rms-error for atom 13 :v+ + v- =  6.7216D-02  ,  v+ - v- =  3.6856D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  2.3135D-02  ,  v+ - v- =  8.8772D-04
      rms-error for atom 14 :v+ + v- =  6.7291D-02  ,  v+ - v- =  3.6856D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  2.3229D-02  ,  v+ - v- =  8.8956D-04
      rms-error for atom 15 :v+ + v- =  6.7291D-02  ,  v+ - v- =  3.6856D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  2.3229D-02  ,  v+ - v- =  8.8956D-04
      rms-error for atom 16 :v+ + v- =  5.0766D-02  ,  v+ - v- =  3.7186D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  1.8304D-02  ,  v+ - v- =  1.0098D-03
      rms-error for atom 17 :v+ + v- =  5.0680D-02  ,  v+ - v- =  3.7187D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  1.8285D-02  ,  v+ - v- =  9.9269D-04
      rms-error for atom 18 :v+ + v- =  5.0680D-02  ,  v+ - v- =  3.7187D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  1.8285D-02  ,  v+ - v- =  9.9269D-04
      rms-error for atom 19 :v+ + v- =  5.0766D-02  ,  v+ - v- =  3.7186D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  1.8304D-02  ,  v+ - v- =  1.0098D-03
      rms-error for atom 20 :v+ + v- =  5.0742D-02  ,  v+ - v- =  3.7186D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  1.8285D-02  ,  v+ - v- =  1.0228D-03
      rms-error for atom 21 :v+ + v- =  5.0742D-02  ,  v+ - v- =  3.7186D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  1.8285D-02  ,  v+ - v- =  1.0228D-03
      rms-error for atom 22 :v+ + v- =  4.9987D-02  ,  v+ - v- =  4.0598D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  1.7058D-02  ,  v+ - v- =  6.5993D-04
      rms-error for atom 23 :v+ + v- =  4.9954D-02  ,  v+ - v- =  4.0598D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  1.7087D-02  ,  v+ - v- =  6.6114D-04
      rms-error for atom 24 :v+ + v- =  4.9954D-02  ,  v+ - v- =  4.0598D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  1.7087D-02  ,  v+ - v- =  6.6114D-04
      ITERATION  13 average rms-error : v+ + v- =  7.4591D-02
                                        v+ - v- =  4.0060D-02
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.360740021595052E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.907000330013708E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.204642800719740E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.619793243381435E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.401036733566424E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.833152818622103E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.261376632238149E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.740632663340894E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.331089641982058E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.254646545986644E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.513257787805232E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.644111498523694E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.851025947983746E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.730402598422249E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.883240680247866E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  5.190107221268793E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.348818936079306E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.735250268299618E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.404728939617051E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.414287730242912E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.339379074614590E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.049447637081528E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.208476515263892E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  9.659275175128364E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.020607973484069E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.533929949868976E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.262162244327953E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.135998887564549E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.977821358198066E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.754810434607449E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.186814103153674E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.308002857215587E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  8.043523360152904E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.825946626486627E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.923277503571614E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  5.875044896749364E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.430893804563915E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.361188672954350E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  4.222202866354786E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.655221779916857E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  6.825122027076434E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.835674616166316E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.315784992165660E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.509635643154333E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.218432512944951E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.930117580833392E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.843656243287530E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.925668275440935E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.920762965530708E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  5.498098961207504E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  4.942353385456414E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.575425611549889E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.305731812403907E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.122589238360136E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  8.699533973573558E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  9.558815601748744E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.074236253710145E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.055320877934087E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  4.899626589382146E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.645811470064082E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.290023739920900E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  6.594525949259534E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.137597600473739E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  4.713525400435521E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  8.173874625669697E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  9.317732411910327E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  7.805084161497881E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  2.752002665565012E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  4.773067381184249E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  6.138333658116910E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  4.081515114700931E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  7.577150279796028E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  4.356078470576797E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  4.254508921206113E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  5.027639334344581E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  2.440344285162501E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  4.685273062731266E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  4.632582193054128E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  7.534150145398606E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  6.594525444674329E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.137200860924832E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  4.713525238679244E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  8.173875669509170E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  9.311565750490086E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  7.805083776091771E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  2.752002536100128E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  4.773067280581693E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  6.138333355938176E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.082258844347885E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  7.576122326011558E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  4.356078407153743E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  4.254509165790214E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  5.027639077113948E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  2.440344165932176E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  4.685086552189546E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  4.632581895564697E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  7.534151230937367E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  7.454323612892652E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.848763847978377E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.132759874477840E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  9.714688097640248E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  3.532106415208311E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  1.083303127565214E-003
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  1.027470283125912E-011
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  5.669606687602794E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.332714038947022E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.778244275370207E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  8.120836294610821E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.441422180968127E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  4.956725298554144E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.192679963485314E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  7.418578770939047E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.382532712810634E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  7.540589724650042E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.955714239546947E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  2.374638324185216E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.160462119292250E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.379154658305985E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  9.244291701100497E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.319754236932441E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.297751749837444E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.660372527255657E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  3.129430818807583E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.159368683498532E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  8.124366181963749E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.857783804649197E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  7.632784773261373E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.586287542611154E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  9.714744935718761E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.702711897004444E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  1.085254447887530E-003
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  7.936321322139448E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.112744175354791E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  6.409751312080994E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  4.278443622478041E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  4.056142738001911E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  7.017336136452878E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  2.477702659974435E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.464282141236046E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  3.701944304307893E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  3.368521582365872E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  7.547967193804865E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  2.376616213427888E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  2.761668722023595E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.352491846553440E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.428195108571785E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  5.120454476592580E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  6.610304278360342E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  7.018259967320349E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.562500794193783E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.720547205395062E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  4.059597760598806E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.469287925155136E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  3.816169606001986E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  8.867396162333059E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  9.714744576319341E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.702711655304474E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  1.085254405741360E-003
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  7.936321114777993E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.112715658057208E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  6.409752743835742E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  4.278444537358204E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  4.056142619282385E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  7.017337790533750E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  2.477702612564777E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.464989424770269E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  3.701944233103518E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  3.368521400265833E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  7.547966993547290E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  2.376616072924765E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  2.761668520669607E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.352484299336211E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.429516218949517E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  5.120454366891418E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  6.610306723109871E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  7.018260606319874E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.562500713419903E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.720548759099806E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  4.059597644631903E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.469235314157556E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  3.816169483908091E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  8.867398853221661E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.123472160122947E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.770629898761193E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.533467397525110E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.109963221848436E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.601353072437515E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.520336638177254E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.024433845169755E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.717243233949742E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.124598479288984E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.221837956932169E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.134430342188352E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.543761582582289E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.698952081654872E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.221318334352320E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.915270266612559E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.807413587760057E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.717097658820896E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.858133583678386E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.927822207146649E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.210156166389874E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.444515447902309E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.391506332424598E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.205096725880994E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.142538278680994E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.281701259965447E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.595308356060907E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.224430645741548E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164638347777851E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.127857181730820E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.012767369759019E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.890999520362941E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.279924683591353E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.051023385638382E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.577408958244717E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.446745663833366E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.404409960867541E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.248719797408639E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  3.660209503720568E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  8.344851027203556E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.852838901811467E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  5.990627886661333E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  5.426548658709787E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  1.995325230179450E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  2.550344285954409E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.689029781354380E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  9.028909062713937E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  4.963329808271975E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  7.943936487798875E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  5.762886727201105E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  8.912831855984094E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  4.820349339086939E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  4.353418426774412E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  5.961773254978631E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  4.935760858596566E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.202739412921687E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  4.313461457024991E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.421104006241321E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  9.472966521491077E-012
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.117450306480760E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  2.833416550530374E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.344754773489815E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.004927425927577E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  7.609273697168716E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.564715382257053E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  5.726238598701718E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.915599855385027E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  3.647583355258367E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  5.664162658682217E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  2.730600413504338E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  4.683390155240813E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.162816406442453E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  4.174346378990695E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  4.971283098293904E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  2.476511135001864E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  4.298447177880286E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  2.875189025253077E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.644601011345585E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  2.396968540578192E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  2.149410961462060E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  3.749477523634207E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  5.554422718469622E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  2.143646597493332E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.611883786223199E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  5.086342684323496E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  3.777022849309860E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.511431223365937E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.427171393057712E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  3.167789557829629E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  4.950438728670905E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  3.802806880827975E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  6.592435278110504E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  2.867055358338203E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.769452000507963E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.819759917144388E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  2.450094003497205E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  2.730600143328499E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  4.683390008506293E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.162910339762661E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  4.174346858530763E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  4.971284003936756E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  2.476511008487841E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  4.298448243198659E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  2.875188813284392E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.644777996638742E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  2.396968332924981E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  2.149410877703969E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  3.749477817187455E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  5.554422485335241E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  2.143646617426625E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.611914813515513E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  5.086342457996396E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  3.777023192112288E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.512554510610679E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.427171469749934E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  3.167790696048468E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  4.950438064379989E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  3.802806750460005E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  6.592435370707745E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  2.867055260751194E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.770169713400460E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.819759798550051E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  2.450092563520101E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  6.366808954760409E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.940240912343796E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.680339229923295E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  3.889618594894671E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.974290103696448E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  7.753975975521199E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.482420445162552E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  9.250065389373712E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.874783009117872E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.693314539104829E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.366451245228925E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.956297405965340E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.028080857636890E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.318190274664539E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.907400170740196E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.108714379265169E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.183364912317651E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  8.341317191890247E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.116701832300570E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  8.986067979837127E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.925550994910191E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.692013167650976E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.552578891038201E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.590227202868131E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.234319268515866E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.909251836837459E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.431102854482679E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.288615743224606E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  5.440760453296207E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.226491452108488E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.305467146239022E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.005052326580803E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.944782712557356E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.569186870222987E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.030279712968593E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.046964320953238E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.398778981875698E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.813303744854498E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.407306762855197E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.244275677954150E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  4.408870924717003E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.940038663572771E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.965506072537705E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.810674988465454E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.380986835426446E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.163980549181048E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  5.589949873065675E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.706090015290668E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.756235712200807E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.736470525311126E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  6.274874622823950E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.218867084636151E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.133609515851556E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.518306507616297E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.015901177254276E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  4.359878130289342E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.119792154366636E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  2.390064883840426E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.980124985980536E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.042838220424846E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  1.368467459132443E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.514546538911862E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.169037238614247E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  1.320743951322499E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.576550495236406E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.918274541047809E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.842083875338606E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  8.851922717977073E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  3.840822846120711E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  2.224059339619407E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  2.707624606690793E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  3.049509282744897E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.505580340944375E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  2.807128160574767E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  4.852583880865454E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  2.745383423123060E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.460109928442980E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  8.641673686170817E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  3.170740477173413E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  2.076875928701159E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  3.793969071394588E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  7.666828529189813E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.315153231774864E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  2.186920046576961E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.417504738965722E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  1.199629681645387E-004
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  5.462541281110449E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.846635912222499E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  6.861596756748690E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.668446051221214E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  6.622151364574994E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  1.147701143471389E-004
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  9.607089932224317E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.007745524056433E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.645157281140253E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  1.191651386869013E-004
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  3.840819528564114E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  2.224059249484176E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  2.707624542996028E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  3.049041542398856E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.505582380312827E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  2.807128010556456E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  4.852586908047868E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  2.745383318227647E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.459986851118208E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  8.641673331733324E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  3.170740316515297E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  2.076875792107241E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  3.793970391839268E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  7.666827883369273E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.315154349760682E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  2.186919963540095E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.418630409369788E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  1.199629621847358E-004
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  5.462538152986969E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.845247478352259E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  6.861596566281401E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.668446371010900E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  6.622151081869312E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  1.147701248938030E-004
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  9.607089469703515E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.006724732361491E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.645157200764969E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  1.191651235816698E-004
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  9.869067273729007E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.846016770737947E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  3.023633248200319E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  4.286133855981879E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.284323155573557E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  1.472736067031378E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.134168001709464E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  2.524514629955880E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  5.180025038926246E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  7.523382787922338E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  7.526203283315576E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  5.358508676103019E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.708368686906096E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  2.374475322963395E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.326265701284553E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.251375514668141E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  5.980648309941633E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  2.711748325964490E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  4.696832719854161E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  4.999704315680775E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  8.774345100919862E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.710066450005523E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.825059510830511E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  5.764884893406970E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  9.102508069632224E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  4.177796750940899E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  4.892031210814412E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  6.179607779440180E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.952487369823649E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.756966102927291E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  2.457970957106749E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  2.595210984960667E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  4.078988458817802E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  8.706098119712165E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  4.096091832983701E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.648005877426040E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.257685244529440E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.695516196448556E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  2.913933397911884E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  2.100443065794776E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  8.863171745874554E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  2.520650521834724E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.322255173227492E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  9.794741604173073E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  3.045626195705061E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  8.808526623084518E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  5.509056128498944E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  2.414583583257420E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.759735400606504E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.717329260835446E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  4.296439618127202E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  7.161783465740271E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.513052361799715E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  6.586361467409406E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  5.809217990245565E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.719068103941207E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  5.090308550422838E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.399386976247877E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  9.074635459062604E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  6.370529600077086E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  4.328880537079172E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  3.163999595325690E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.689343418688849E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  3.487512912884534E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  6.003445132689501E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  2.561951093532569E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  4.708078260603762E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  7.595906584172076E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  4.096086742041454E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.648005811314534E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.257677953600698E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.695523270479118E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  2.913933154240155E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  2.100444014263092E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  8.863172095877961E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  2.520648736012339E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.322252270372935E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  9.794750207647160E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  3.045625919477949E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  8.808493015631229E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  5.509054989357725E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  2.414596736045771E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.759734193119733E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.717329030016137E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  4.296451561637293E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  7.161761477849881E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.513051465813341E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  6.586349218367530E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  5.809217446538916E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.719081735792583E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  5.090307213169861E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.399384846363781E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  9.074616400598210E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  6.370528526429077E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  4.328885168669979E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  3.163992510247738E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.689343029493491E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  3.487504506005383E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  6.003444279845348E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  2.561941019970026E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  4.708076989669038E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  7.595890033313254E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  9.869067849093151E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.846009670169027E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  3.023633045721916E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  4.286123733509324E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.284323191657420E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  1.472734875529696E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.134168083278860E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  2.524515917123244E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  5.180009651428343E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  7.523392499535714E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  7.526202681040407E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  5.358476597837054E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.708369489246279E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  2.374462829261100E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.326265479389886E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.251375340171488E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  5.980662607822219E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  2.711750853898888E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  4.696832670010305E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  4.999691583102731E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  8.774344235067417E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.710052755178317E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.825060007388305E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  5.764867951902424E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  9.102524834816673E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  4.177796379501158E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  4.892036943088634E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  6.179600780682569E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.952486890810874E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.756970966806651E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  2.457970796969883E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  2.595220449602005E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  4.078988888808626E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  8.706081804953546E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.394881721812844E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.627881522542009E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.697248023573789E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.234701370464584E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.141862456760629E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.332701630065452E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  3.616138297545658E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.248168589798708E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  2.529153059148937E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  1.023076852718534E-004
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  6.380402908441856E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  7.747810004987791E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  4.577240095844596E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  9.999957312890928E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  2.415874014571127E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  9.482226091692981E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  1.080645414344214E-004
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  3.309680299523192E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  8.115932822999914E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  6.582591096186196E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  2.066929560792468E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  3.863126921886198E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.799378103581555E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  6.008270103857669E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  7.901589144362127E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  9.079655782339754E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  9.063864689580993E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  4.277592253230719E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  4.438120349868488E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  2.233150885968918E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  3.555684485709760E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  5.165720958187656E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  2.579014569845914E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  4.980728673654193E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  3.426210283315906E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.394881995208373E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.627877739165531E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.697247947589092E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.234704654446106E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.141863318620182E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.332701700216512E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  3.616139260344954E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.248168634007245E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  2.529154519708788E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  1.023074330351321E-004
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  6.380404464580698E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  7.747809986724076E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  4.577217840961895E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  9.999957712018864E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  2.415861558419102E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  9.482225593696660E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  1.080645416776560E-004
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  3.309667262936706E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  8.115913933476734E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  6.582591471015117E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  2.066921928973873E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  3.863126860657629E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.799364725098675E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  6.008270425607309E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  7.901569360921923E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  9.079673423032329E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  9.063864868691769E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  4.277589067646485E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  4.438125094168674E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  2.233150887364459E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  3.555675119968463E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  5.165720940459950E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  2.579024172453265E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  4.980728641812999E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  3.426217328846582E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  6.656862980059616E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.291769201942311E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.833503973945756E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  2.424934847793583E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.276414975701087E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  1.422512080314225E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.890849327295436E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  9.107360266819402E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  2.423310245845176E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  4.625245635686207E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.211957444479181E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.622626680417450E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  2.687819949696215E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.406655048443862E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.097361035670252E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.355808071464032E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  4.165768920205319E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  3.376579777767489E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  1.854571626728496E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  5.416886367774374E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.233006441146202E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.999297071619932E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.970228391940155E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  3.262953839110815E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  8.760558877128647E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.756214408503739E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.136565544822595E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  8.966979806053879E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.694912961827803E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  6.969548802737154E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.570725135148972E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.256514043831644E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  1.167172977680416E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.412734691404614E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  9.519017199760458E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.230750793062013E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  4.293658009526078E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.409578545489451E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  2.063863774837121E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  1.524057102487467E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  2.718549136923395E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.199224291041466E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.285153813308445E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  2.096976611838332E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.419295433858836E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  2.526243673726972E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.222868799860205E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.897358492079993E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  3.864585919619957E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  9.206263991372127E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.368656953166588E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  2.416035824474213E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  5.363168776224269E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.459697609653944E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  2.193388372056340E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.706624974757947E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  1.789552111113629E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  5.453188173685060E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  7.683895442679264E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  9.852048999067314E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.960808412081082E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.739200107435026E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.421843246456527E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.440729371111698E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.073192947026092E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.957390383391862E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.948297139842009E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  3.502512592573765E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  4.195759116900582E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  8.477249930087986E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  5.892601011192290E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  1.041640818038701E-004
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  4.883308699148982E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.553980663150509E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  2.357327001927678E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  6.068314647835650E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  2.063857320359735E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  1.524056897535675E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  2.718537421613674E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.199224333115940E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.285153869431411E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  2.096976863202378E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.419295346959044E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  2.526243466917368E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.222868886328586E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.897416971986667E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  3.864562124005998E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  9.206265023806359E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.368656884296252E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  2.416031044715779E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  5.363168951813687E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.460835058185126E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  2.193388084221592E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.706625000623511E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  1.789551639087796E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  5.453188878861856E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  7.683898161940220E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  9.852048793771580E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.960808169910565E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.739200070223109E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.421842935000621E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.440716162011989E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.073193276176471E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.957391124493469E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.948531927262933E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  3.502512657564475E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  4.195728145466322E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  8.477224779474550E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  5.892600599120114E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  1.041640639631368E-004
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  4.883308431592039E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.539198424611455E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  2.357326748353533E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  6.068286493041064E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.165440577967143E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.941957987397639E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  2.580029562174415E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  2.094769500792167E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.549571331252024E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.400303872641441E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  9.051528490789217E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.958868790660835E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.174345017427276E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  3.079543510593735E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.685975647633956E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.619201219398605E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.591562968424068E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.606988369832990E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.891334609520955E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.746579701132831E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.516463901774595E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  3.743590930234598E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.324448409066910E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.401344415335595E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.243032663634644E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.031798000835548E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  8.192862559057552E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  9.423046325349232E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.538529642318310E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.380189215379260E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.106590669465876E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.108132106399957E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  6.137017557387538E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.125878542974433E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.792373899031624E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  1.017898269871868E-006
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.446904992817858E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.770771222469401E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.929880961634132E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.220708744383918E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  8.794434905898278E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.419118231067016E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.664547932082601E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.041116393844476E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.372918895987638E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.935775487431411E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.541872884267284E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.660240722339416E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.223418984315569E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.020447010234379E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.038971170531256E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.029265808316584E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.963784762197204E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  6.055669868517127E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.019304998729315E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.477398034939685E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.067002914737237E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.109326636532608E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  9.404701327232394E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.949717943491531E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.069235636405632E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.129183877850829E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  5.207931668753699E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.705646026377349E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.382534573562903E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  6.113609308249194E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.720817911346122E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  4.992454517650723E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  8.662398934022601E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.003870011677551E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  8.619796899064442E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  3.021146755948802E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  5.240883892284031E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  6.031420752909828E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.756207239294317E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  5.893616512645022E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  4.710161713452281E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  4.521980147711967E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  5.173668120080362E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  2.594530582666427E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.400030437320618E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  4.808260652359141E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  8.148152201083194E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  6.113608914086040E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.720380917432527E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  4.992454383657810E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  8.662400072223626E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  2.998663905256498E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  8.619796623921971E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  3.021146662068683E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  5.240883690498832E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  6.031420491030343E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.756444442741871E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  5.892628286411448E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  4.710161664246719E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  4.521980495153786E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  5.173667896608186E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  2.594530473250728E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.399705848309242E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  4.808260390162204E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  8.148153396737093E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  9.529822594021281E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  3.368548076725501E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.696548949368448E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  9.812157100120326E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  3.854355264390025E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  1.130531359294790E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.287688964884807E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  6.760688979488667E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.370090012554576E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.024235122018630E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  8.719446036664789E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.480143226010378E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  5.522630795099873E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.280214488942269E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  7.744732802794759E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.357394663760869E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  7.519995294178329E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  3.462943630723085E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  2.752292161089784E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.355582925311237E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.434441157821763E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.171487711746094E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.211644736431800E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.399300158016974E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.436535251385565E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  3.237112615972723E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.262155644066632E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  8.768017408034838E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.906252263758994E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  8.224706118952760E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.750859893198903E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  9.809186691707098E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.436246142260312E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  1.132218978429585E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  8.078155167802975E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.252217005196586E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  6.693211146530337E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  4.769495775407497E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  4.352007529143145E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  7.533803377765237E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  2.764069663595166E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  4.036296852417134E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  3.862504235639899E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  3.207152014343944E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  7.527427689242272E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  2.755554459885967E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  2.881417180702315E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.530097677588638E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.330317287594430E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  5.439188682489634E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  7.122659259717820E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  7.573974851134644E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.616125976048353E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  2.813785217783470E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  4.377599054435159E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.695723942071822E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  4.109290414056986E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  9.425127639418479E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  9.809186419496145E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.436245794376001E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  1.132218956886504E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  8.078154980395273E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.252193555504897E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  6.693212884824258E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  4.769496871699772E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  4.352007346318758E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  7.533805134526146E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  2.764069590900377E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  4.037023077090414E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  3.862504126745662E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  3.207151870382567E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  7.527427516759621E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  2.755554295740493E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  2.881417019222664E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.530088992614135E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.331680423094711E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  5.439188516157782E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  7.122661881946359E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  7.573975660772290E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.616125879700980E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  2.813786786117988E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  4.377598900166091E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.695608585094395E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  4.109290247948713E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  9.425130538483189E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.390260900368546E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.002675420229629E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.718426822595441E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.982625954604247E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.155505028997953E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.164236228944156E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.030360433351961E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.473926899429552E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.255299576202800E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.805458459376750E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.199305169891913E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.622413481593198E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.912664408514885E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.167009823070794E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.987425184579502E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.196905386696925E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.814848353485429E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.177772192016961E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.225201319378321E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.696652808860664E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.770505370531815E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.572409986741896E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.343393327810273E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.452624683180443E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.360483453965647E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.100569085743571E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.891648674460880E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.170776247319309E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  9.644158244048740E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.081269601001035E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.364978505959602E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.183561946450093E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.511143844027405E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.787795888019532E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.464531660596687E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.772261950941065E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.338423698813489E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.920167317659265E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  8.598002845872777E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.366324057973206E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  7.539219464996856E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  6.503756831604372E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.765125034359058E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  1.567469508613209E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.316756876066425E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  8.387323517662921E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  5.240963323400518E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.290179546697447E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  5.414110376252428E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  9.513977581627605E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  4.544048434914107E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  4.181363063031174E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  5.649884512319824E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  7.701516492106244E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  5.990256230799614E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  3.842510572303398E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.779039579464795E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  9.108155907899835E-012
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.427555771078578E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  2.597202577176764E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.857936514761106E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.412761366650530E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  7.971911416940407E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.723070883501754E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  6.042699103714739E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.790566150238353E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  3.676445225363137E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  5.437637261843159E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  3.270539662598516E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  5.610231936559666E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.812454700082795E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  3.936451479815328E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  4.667958301291700E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  2.614847944749598E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  4.538277052926653E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  2.700696417085849E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.071464064805037E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  2.258167673143840E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  2.062013981226577E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  3.342361148110765E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  5.848579766985305E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.907540668301822E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.781124631856995E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  4.795190628691860E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  3.628488049086264E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.040560458934778E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.308180209078966E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  3.193129658202043E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  5.222595498486376E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  3.983528867597703E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  6.905587184934896E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  3.025409716647882E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.252058913435829E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.834042346071435E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  2.244658657603425E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  3.270539314813354E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  5.610232054969549E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.812541784802755E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  3.936452031976563E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  4.667959218415193E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  2.614847834483549E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  4.538278213376016E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  2.700696281902534E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.071634598095587E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  2.258167525874699E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  2.062013904860958E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  3.342361428295273E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  5.848579546641628E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.907540676288267E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.781153367664898E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  4.795190467822448E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  3.628488329926735E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.041708668733373E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.308180248538577E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  3.193130744628818E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  5.222594867054343E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  3.983528741601279E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  6.905587316946330E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  3.025409637570787E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.252788492348893E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.834042244830784E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  2.244657348877856E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  5.630957302154246E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.774552535447466E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.920216272202618E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.109814350111867E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.097299952335313E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  9.931432254606854E-007
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.265755869543145E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  8.240825805827734E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.134856811084537E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.859874465471638E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.601280680482773E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.061283245261920E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.023399239661909E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  7.770210251152927E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.918478417399025E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  1.018567977097155E-006
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.215717010067284E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  9.167300787933361E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  1.042977455967229E-006
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  9.000123149640493E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.519987958282614E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.131220630287510E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.920034010415590E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.725153450925099E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.344294636288874E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.845958799349085E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.568115254621594E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287134873041459E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  5.703888873068950E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.644707516368319E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.542124597262074E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  3.979321836180197E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.502378618325965E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.564623882741785E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.029079060738893E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.102957184907184E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.628165917931134E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.836168004907264E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.392987532015840E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.859271064150084E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  4.578819416520454E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.821098539599384E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.608661395756116E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.843805264872556E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.353092984300714E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.115049941497080E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  5.333811325714690E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.629441897535781E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.105358955901519E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.363341947859844E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  9.505515125992771E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.240611268304684E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.139463833372031E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.264748577385719E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.888411084269411E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  4.774513733120477E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.062999799331518E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  2.170589069014030E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.022267897501493E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  9.999686401928860E-011
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  1.452325186900909E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.853200632865808E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.028393159465840E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  1.343926583078572E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.489403271459018E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.993948397332333E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.610083550965243E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.583137612130757E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  3.989178022910930E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  2.304342350143680E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  3.041903540034685E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.751631774077077E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  2.048784288165832E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  2.681614226457397E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  4.631690145705773E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  2.428019291358724E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.374305630626404E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.177084912814246E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.670318098622207E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.887801702156956E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  4.154644661335583E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  6.404944300925142E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  1.095487765308372E-004
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  2.393600794288773E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.291570369443802E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  1.088129256705163E-004
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.244265480484313E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.651093282255658E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  7.273852934417187E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.734581718522740E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  6.728635851044298E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  1.167723605577730E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  9.975284158001521E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.762821692148017E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  1.274678099408538E-004
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  1.264835395598678E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  3.989174978963950E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  2.304342252669464E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  3.041903399844784E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.751373722957278E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  2.048786643415816E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  2.681614078408050E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  4.631693057742401E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  2.428019192582902E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.374200000004441E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.177084855194244E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.670318032102382E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.887802720901588E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  4.154646112718878E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  6.404943799401665E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  1.095489053229975E-004
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  2.393600684610663E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.292680705066625E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  1.088129202857953E-004
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.244280765447477E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.649773077134770E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  7.273852652828143E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.734581975351756E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  6.728635512175102E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  1.167724154628195E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  9.975283672376893E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.761878772026961E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  1.274678037843665E-004
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  1.264835180298084E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  3.028124313914726E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.435608510208127E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.426355519690640E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  1.003535235305604E-004
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.906363621704759E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  2.225245754752065E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  9.797630265150050E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  2.400789987421270E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.443248569821644E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  9.412963694800479E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  8.089804328180808E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  5.217517001603071E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.280869044377596E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  2.409554348892577E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  4.195360542109162E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.367163394913898E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.340319173325641E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  4.409282392015848E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  6.468777912037172E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  4.295406405523800E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  5.096147086077785E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.845649149503474E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.222477113268667E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  8.604067199496140E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  8.513519341373821E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  3.179824628901373E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  6.180218929166359E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  1.863241651585181E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  3.053799676286266E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  2.004536003485924E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.703076513939748E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  2.513761636322198E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.029988149676253E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  5.307701793207416E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  2.309492907050654E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.429073413727685E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  8.869061392111603E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.116955718296919E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  3.396930418221733E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.362133800705348E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.295455207439239E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  2.398715334449027E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  8.297817356706669E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.258034252114556E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.399565905132496E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  4.497613717731130E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  9.093857286808222E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  2.435662531443335E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.259411724498094E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  6.964474816903584E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  9.386462740688928E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.351798760314958E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  6.302813554466416E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  4.640234892562088E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  6.231494641732802E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.846599001007826E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.190306615978600E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  6.011822154515024E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  8.492770389741516E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  4.552466154648160E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  5.715150569084644E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  2.601694059342151E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  3.059187880165972E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.850142111800259E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.115744599368951E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  2.486693245352620E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.029806369002239E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  4.507464151731108E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  2.309488234984404E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.429073374103018E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  8.869002493389832E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.116958539804871E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  3.396930160714966E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.362135028992183E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.295455243626862E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  2.398713589686216E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  8.297794915528729E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.258035464318111E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.399566378966246E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  4.497584666323007E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  9.093857364437609E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  2.435674966245750E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.259411804923387E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  6.964474318095335E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  9.386485234965094E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.351803714606562E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  6.302813495859625E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  4.640229403984335E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  6.231494759208100E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.846612196152733E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.190307490013559E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  6.011803592911715E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  8.492751569965553E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  4.552465314455174E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  5.715160749850834E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  2.601686761039608E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  3.059187740216039E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.850153282846033E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.115745111213232E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  2.486683384982426E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.029806470917958E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  4.507450234992030E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  3.028124355190852E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.435616053484384E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.426355775867269E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  1.003533999267313E-004
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.906363607747992E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  2.225244521520031E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  9.797631574664457E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  2.400791044120166E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.443246606951034E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  9.412967242765879E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  8.089803425600683E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  5.217545206888934E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.280869168897211E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  2.409542216397224E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  4.195360383836970E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.367162834082279E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.340310849316210E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  4.409276009567044E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  6.468777821282159E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  4.295395397797122E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  5.096147805844486E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.845635879287297E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.222477244539922E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  8.604048824940558E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  8.513535226036522E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  3.179824626918264E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  6.180208832210897E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  1.863248727778432E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  3.053800343658494E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  2.004532863354099E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.703076871339909E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  2.513770803850894E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.029988250759754E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  5.307685816712960E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.630060508398378E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  3.028907580423176E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.542431947202233E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.202586330519307E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.288054561449575E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  4.541835816942598E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  3.671002706792642E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  5.488895654190663E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  2.397510992572582E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  8.106609536342354E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.109799248773246E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  1.036088300953887E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  9.201062265653788E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.181755650439490E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  2.463158224855311E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  1.233794084834826E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  7.856764348243830E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.172122724120684E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.608241957703388E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  2.998240543316383E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  7.170636019422515E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.623576133066571E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.930707564815831E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  4.912137566768918E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.091204706819790E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  8.467655265922107E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  5.157082078833133E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.188096631295975E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.765764463984924E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.167251725167404E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.607363935146290E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  1.304397718467322E-005
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  2.489194637929991E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  8.066331811487426E-006
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.504166103464483E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.630060676495971E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  3.028911961779970E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.542431716276154E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.202579002553350E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.288055635522301E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  4.541835245038118E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  3.671003863396640E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  5.488894828555485E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  2.397512382956926E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  8.106624078570538E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.109800170897883E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  1.036088364085567E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  9.201034662305865E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.181755686313035E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  2.463146186309998E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  1.233794098719023E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  7.856764224698405E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.172124656743943E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.608248473362005E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  2.998240397825452E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  7.170639935555830E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.623575958572912E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.930694431847698E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  4.912137253705819E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.091222017634611E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  8.467672532028314E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  5.157081909603606E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.188097631719663E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.765756348351877E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.167251705150989E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.607371775284846E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  1.304397540280127E-005
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  2.489204091844776E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  8.066332823624421E-006
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.504175031338693E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  7.295922296554481E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.882127690756318E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.399667706703898E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.667670637629198E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.490966795982689E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  7.725400509121332E-012
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.748720007869722E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  9.039790855669366E-012
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  2.126924605855257E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.176251142549422E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.231375166258469E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.781766099945321E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  2.573367600467340E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.521308215268217E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.549167187240588E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.825747126462684E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  6.665830210370307E-006
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  3.988745997876519E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.283470735730986E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.390463556819807E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.027760937247981E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.604660552396512E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.502798664775571E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  3.071086592534527E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  3.801224768088009E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  4.328595676156901E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.312011002223668E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  7.638741155501162E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.545412792628795E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  2.712864889312313E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.611589942803101E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.279470035161249E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.258018474505195E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.405295505286686E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  9.759472889124310E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.116488093676767E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  2.531320428574984E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.376165685171890E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.425819554925083E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.481206598549240E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  2.645455984496394E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  8.212236852157685E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.491043745874153E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  1.832221587054532E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  8.512473416885126E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.538571313512460E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  1.074943296126845E-004
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.099496433974801E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  1.049194319642026E-005
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.311922203777785E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  1.319561691744335E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  2.332893865388889E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  7.608506694098528E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.692233701040530E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  5.638008070691919E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.992997747051124E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.117983931239944E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.392173762742743E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  3.288271328428694E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  7.889332649257187E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.451656601323279E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.397760868232843E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.915795118667975E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.763674215997606E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  6.571214772429876E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  3.387943855974222E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.186043240919374E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.371760781986261E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  2.717084545238212E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  8.716273401659846E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  6.353886640728136E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  1.121757931109607E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  5.018012949262212E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.161251719243552E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  1.503734908705901E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  2.399184378818965E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.425814659005783E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.481206896855767E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  2.645443995723575E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  8.212236918581405E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.491043733066355E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  1.832221715827969E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  8.512471740704175E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.538571166011399E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  1.074943421656032E-004
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.099553560439794E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  1.049174424685463E-005
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.311922421375729E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  1.319561721480283E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  2.332889248960421E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  7.608506844494927E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.693253992271364E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  5.638010840356013E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.992997897440694E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.117983739584735E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.392173781012590E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  3.288272271186322E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  7.889332177650334E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.451656193732463E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.397760831603923E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.915795235966917E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.763471365062176E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  6.571215319882581E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  3.387943042183793E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.186362214432981E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.371761063587380E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  2.717054708192668E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  8.716248878714271E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  6.353886532986501E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  1.121758446741317E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  5.018013060809670E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.148157515631869E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  1.503735141855445E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  2.399158568378854E-005
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.33120512 p = -3227.35407609
                                d =  -843.05212265 f =   -22.86829157
       valence  contribution :  s =    -0.07452563 p =    -0.02209155
                                d =    -0.23291662 f =    -0.00230998
                                ns      0.00294063
     single particle energies  spin  up    
         core   contribution :  s = -6845.08004660 p = -3229.15395772
                                d =  -844.54379403 f =   -23.91716637
       valence  contribution :  s =    -0.10375463 p =    -0.02980348
                                d =    -0.73681515 f =    -0.00307933
                                ns      0.00569725
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21881.49731866
                                   band energy per atom :   -1.1966585097

     coulomb  contribution :   0  13814.05487059  1      0.01121240
                               2      0.00080557  3     -0.00150498
                               4      0.00281127  5      0.00009604
                               6     -0.00002532
     --------------------------------------------------------------------
     tot. coulomb contribution :  13814.06826558

     ex.-cor. contribution :   0   -674.50391392  1      0.00869105
                               2      0.00222470  3     -0.00807574
                               4     -0.00809357  5      0.00234166
                               6      0.00005450
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.50677132

     eff. pot. contribution     : -26898.92485029
     total double counting contribution                 : -13759.36335603

   Total contribution of atom  1 =-35640.86067468
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07780255 p =    -0.08999493
                                d =    -0.03954506 f =    -0.01198916
                                ns      0.03664188
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09974347 p =    -0.11548004
                                d =    -0.05434310 f =    -0.01888274
                                ns      0.05082072
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42031846
                                   band energy per atom :   -0.4203184562

     coulomb  contribution :   0     -0.13970173  1      0.00208247
                               2      0.00773216  3      0.00191217
                               4      0.00001267  5      0.00039607
                               6      0.00002199
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12754419

     ex.-cor. contribution :   0     -0.69346163  1     -0.00065372
                               2      0.05233021  3      0.00981021
                               4      0.01905857  5      0.00390635
                               6      0.00048568
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60852433

     eff. pot. contribution     :     -0.46373276
     total double counting contribution                 :     -1.19980127

   Total contribution of atom  2 =    -1.62011973
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07772023 p =    -0.08988956
                                d =    -0.03950848 f =    -0.01197579
                                ns      0.03656115
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09964298 p =    -0.11533369
                                d =    -0.05428046 f =    -0.01885895
                                ns      0.05070344
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41994554
                                   band energy per atom :   -0.4199455440

     coulomb  contribution :   0     -0.13996744  1      0.00209826
                               2      0.00774245  3      0.00190558
                               4      0.00002157  5      0.00039784
                               6      0.00002208
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12777966

     ex.-cor. contribution :   0     -0.69277952  1     -0.00066881
                               2      0.05226787  3      0.00979420
                               4      0.01899629  5      0.00389927
                               6      0.00048334
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60800735

     eff. pot. contribution     :     -0.46340816
     total double counting contribution                 :     -1.19919517

   Total contribution of atom  3 =    -1.61914072
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07772023 p =    -0.08988956
                                d =    -0.03950848 f =    -0.01197579
                                ns      0.03656115
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09964298 p =    -0.11533369
                                d =    -0.05428046 f =    -0.01885895
                                ns      0.05070344
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41994555
                                   band energy per atom :   -0.4199455478

     coulomb  contribution :   0     -0.13996744  1      0.00209825
                               2      0.00774245  3      0.00190558
                               4      0.00002157  5      0.00039784
                               6      0.00002208
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12777966

     ex.-cor. contribution :   0     -0.69277952  1     -0.00066881
                               2      0.05226786  3      0.00979418
                               4      0.01899642  5      0.00389927
                               6      0.00048334
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60800725

     eff. pot. contribution     :     -0.46340815
     total double counting contribution                 :     -1.19919507

   Total contribution of atom  4 =    -1.61914061
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04815893 p =    -0.05866924
                                d =    -0.02689874 f =    -0.00844484
                                ns      0.00807399
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06197447 p =    -0.07323182
                                d =    -0.03445973 f =    -0.01155400
                                ns      0.01017528
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30514250
                                   band energy per atom :   -0.3051424996

     coulomb  contribution :   0     -0.09510273  1     -0.00076875
                               2     -0.00039006  3     -0.00003275
                               4      0.00049278  5      0.00008744
                               6      0.00020835
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09550571

     ex.-cor. contribution :   0     -0.42487417  1     -0.00015555
                               2     -0.00033815  3     -0.00003330
                               4      0.01742199  5      0.00001363
                               6      0.00113785
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40682772

     eff. pot. contribution     :     -0.44420872
     total double counting contribution                 :     -0.94654215

   Total contribution of atom  5 =    -1.25168465
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04815649 p =    -0.05868532
                                d =    -0.02690795 f =    -0.00844403
                                ns      0.00807499
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06196274 p =    -0.07324441
                                d =    -0.03447090 f =    -0.01155412
                                ns      0.01017602
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30517496
                                   band energy per atom :   -0.3051749569

     coulomb  contribution :   0     -0.09496877  1     -0.00076701
                               2     -0.00039004  3     -0.00003188
                               4      0.00048756  5      0.00008756
                               6      0.00020747
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09537511

     ex.-cor. contribution :   0     -0.42482312  1     -0.00015709
                               2     -0.00033386  3     -0.00003378
                               4      0.01742474  5      0.00001389
                               6      0.00113362
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40677560

     eff. pot. contribution     :     -0.44417183
     total double counting contribution                 :     -0.94632254

   Total contribution of atom  6 =    -1.25149749
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04815649 p =    -0.05868532
                                d =    -0.02690795 f =    -0.00844403
                                ns      0.00807499
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06196274 p =    -0.07324442
                                d =    -0.03447090 f =    -0.01155412
                                ns      0.01017602
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30517496
                                   band energy per atom :   -0.3051749589

     coulomb  contribution :   0     -0.09496877  1     -0.00076701
                               2     -0.00039004  3     -0.00003188
                               4      0.00048756  5      0.00008756
                               6      0.00020747
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09537511

     ex.-cor. contribution :   0     -0.42482312  1     -0.00015709
                               2     -0.00033385  3     -0.00003378
                               4      0.01742472  5      0.00001389
                               6      0.00113362
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40677561

     eff. pot. contribution     :     -0.44417183
     total double counting contribution                 :     -0.94632255

   Total contribution of atom  7 =    -1.25149751
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07117740 p =    -0.08325117
                                d =    -0.03421691 f =    -0.00895365
                                ns      0.01674512
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09083333 p =    -0.10632572
                                d =    -0.04660526 f =    -0.01352434
                                ns      0.02214292
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41599974
                                   band energy per atom :   -0.4159997367

     coulomb  contribution :   0     -0.13511763  1     -0.00127005
                               2     -0.00216329  3      0.00253514
                               4      0.00093259  5      0.00021848
                               6      0.00018352
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.13468123

     ex.-cor. contribution :   0     -0.61908618  1      0.00234442
                               2      0.00363578  3      0.00057698
                               4      0.03004939  5      0.00093386
                               6      0.00053352
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58101222

     eff. pot. contribution     :     -0.44597559
     total double counting contribution                 :     -1.16166904

   Total contribution of atom  8 =    -1.57766878
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.51220292 p = -1089.65710612
                                d =  -190.63110985
       valence  contribution :  s =    -0.45718363 p =    -0.16813991
                                d =    -0.01458640 f =    -0.00435563
                                ns     -0.00275542
     single particle energies  spin  up    
         core   contribution :  s = -2636.10664628 p = -1090.99509081
                                d =  -192.11573066
       valence  contribution :  s =    -0.56270956 p =    -0.24194317
                                d =    -0.02038356 f =    -0.00601353
                                ns     -0.00328492
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.49924238
                                   band energy per atom :   -1.4813557323

     coulomb  contribution :   0   5104.00502335  1     -0.00016056
                               2      0.00048839  3      0.00156985
                               4     -0.00803605  5     -0.00000285
                               6      0.00009365
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.99897577

     ex.-cor. contribution :   0   -329.22729366  1     -0.00003910
                               2     -0.00031005  3      0.00353501
                               4     -0.01870301  5      0.00001175
                               6      0.00034819
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.24245088

     eff. pot. contribution     :  -9892.43151233
     total double counting contribution                 :  -5117.67498744

   Total contribution of atom  9 =-12954.17422982
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.51237190 p = -1089.65747898
                                d =  -190.63150762
       valence  contribution :  s =    -0.45712714 p =    -0.16807252
                                d =    -0.01458930 f =    -0.00435844
                                ns     -0.00275777
     single particle energies  spin  up    
         core   contribution :  s = -2636.10681503 p = -1090.99546313
                                d =  -192.11612751
       valence  contribution :  s =    -0.56265564 p =    -0.24184146
                                d =    -0.02038611 f =    -0.00601719
                                ns     -0.00328938
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.50085913
                                   band energy per atom :   -1.4810949481

     coulomb  contribution :   0   5103.98762674  1     -0.00016036
                               2      0.00048613  3      0.00157258
                               4     -0.00804740  5     -0.00000219
                               6      0.00009384
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.98156934

     ex.-cor. contribution :   0   -329.22679370  1     -0.00004000
                               2     -0.00031342  3      0.00353491
                               4     -0.01872680  5      0.00001252
                               6      0.00034862
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.24197786

     eff. pot. contribution     :  -9892.41197021
     total double counting contribution                 :  -5117.67237873

   Total contribution of atom 10 =-12954.17323786
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.51237190 p = -1089.65747898
                                d =  -190.63150763
       valence  contribution :  s =    -0.45712714 p =    -0.16807253
                                d =    -0.01458930 f =    -0.00435844
                                ns     -0.00275777
     single particle energies  spin  up    
         core   contribution :  s = -2636.10681505 p = -1090.99546314
                                d =  -192.11612752
       valence  contribution :  s =    -0.56265564 p =    -0.24184146
                                d =    -0.02038611 f =    -0.00601719
                                ns     -0.00328938
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.50085917
                                   band energy per atom :   -1.4810949510

     coulomb  contribution :   0   5103.98762692  1     -0.00016036
                               2      0.00048613  3      0.00157258
                               4     -0.00804740  5     -0.00000219
                               6      0.00009384
     --------------------------------------------------------------------
     tot. coulomb contribution :   5103.98156952

     ex.-cor. contribution :   0   -329.22679372  1     -0.00004000
                               2     -0.00031339  3      0.00353282
                               4     -0.01872467  5      0.00001252
                               6      0.00034862
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.24197782

     eff. pot. contribution     :  -9892.41197036
     total double counting contribution                 :  -5117.67237866

   Total contribution of atom 11 =-12954.17323782
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08668697 p =    -0.10705118
                                d =    -0.04931670 f =    -0.01471780
                                ns      0.05047447
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10642067 p =    -0.12818037
                                d =    -0.06022415 f =    -0.01910977
                                ns      0.06260319
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.45862995
                                   band energy per atom :   -0.4586299503

     coulomb  contribution :   0     -0.19286527  1     -0.00142715
                               2      0.00045842  3      0.00200736
                               4      0.00278779  5      0.00069518
                               6      0.00003423
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.18830944

     ex.-cor. contribution :   0     -0.66958627  1     -0.00126290
                               2      0.05101515  3      0.00901221
                               4      0.01949824  5      0.00408861
                               6      0.00026894
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58696602

     eff. pot. contribution     :     -0.39920935
     total double counting contribution                 :     -1.17448482

   Total contribution of atom 12 =    -1.63311477
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70568124 p = -1151.09321993
                                d =  -209.55403091
       valence  contribution :  s =    -0.60574564 p =    -0.22490291
                                d =    -0.01376809 f =    -0.00363496
                                ns      0.00135244
     single particle energies  spin  up    
         core   contribution :  s = -2756.30086492 p = -1152.43317472
                                d =  -211.04200972
       valence  contribution :  s =    -0.71224516 p =    -0.33770681
                                d =    -0.01495126 f =    -0.00373931
                                ns      0.00124997
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04307316
                                   band energy per atom :   -1.9140917273

     coulomb  contribution :   0   5304.69325437  1      0.00132722
                               2     -0.00101091  3     -0.00403923
                               4     -0.00556542  5      0.00061874
                               6     -0.00000170
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.68458307

     ex.-cor. contribution :   0   -339.81980863  1      0.01203748
                               2     -0.00319788  3     -0.01495863
                               4     -0.01429468  5      0.00225609
                               6     -0.00000587
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.83797211

     eff. pot. contribution     : -10307.19111451
     total double counting contribution                 :  -5342.34450355

   Total contribution of atom 13 =-13580.38757671
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70582199 p = -1151.09353713
                                d =  -209.55438347
       valence  contribution :  s =    -0.60574452 p =    -0.22493067
                                d =    -0.01376604 f =    -0.00363492
                                ns      0.00135031
     single particle energies  spin  up    
         core   contribution :  s = -2756.30100555 p = -1152.43349172
                                d =  -211.04236197
       valence  contribution :  s =    -0.71224388 p =    -0.33773780
                                d =    -0.01494912 f =    -0.00373910
                                ns      0.00124698
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04475058
                                   band energy per atom :   -1.9141487478

     coulomb  contribution :   0   5304.69653811  1      0.00133835
                               2     -0.00101536  3     -0.00403632
                               4     -0.00556868  5      0.00061954
                               6     -0.00000169
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.68787395

     ex.-cor. contribution :   0   -339.81988030  1      0.01203650
                               2     -0.00320786  3     -0.01492530
                               4     -0.01428828  5      0.00225722
                               6     -0.00000574
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.83801375

     eff. pot. contribution     : -10307.19249379
     total double counting contribution                 :  -5342.34263359

   Total contribution of atom 14 =-13580.38738417
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70582194 p = -1151.09353713
                                d =  -209.55438347
       valence  contribution :  s =    -0.60574452 p =    -0.22493067
                                d =    -0.01376604 f =    -0.00363492
                                ns      0.00135031
     single particle energies  spin  up    
         core   contribution :  s = -2756.30100560 p = -1152.43349172
                                d =  -211.04236197
       valence  contribution :  s =    -0.71224388 p =    -0.33773780
                                d =    -0.01494912 f =    -0.00373910
                                ns      0.00124698
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.04475058
                                   band energy per atom :   -1.9141487481

     coulomb  contribution :   0   5304.69653822  1      0.00133835
                               2     -0.00101536  3     -0.00403632
                               4     -0.00556868  5      0.00061954
                               6     -0.00000169
     --------------------------------------------------------------------
     tot. coulomb contribution :   5304.68787406

     ex.-cor. contribution :   0   -339.81988035  1      0.01203650
                               2     -0.00320788  3     -0.01493682
                               4     -0.01427851  5      0.00225722
                               6     -0.00000574
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.83801559

     eff. pot. contribution     : -10307.19249389
     total double counting contribution                 :  -5342.34263542

   Total contribution of atom 15 =-13580.38738601
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71097248 p = -1151.10676157
                                d =  -209.57232378
       valence  contribution :  s =    -0.60980903 p =    -0.22910713
                                d =    -0.01352429 f =    -0.00352322
                                ns     -0.00001034
     single particle energies  spin  up    
         core   contribution :  s = -2756.30601268 p = -1152.44632603
                                d =  -211.05957005
       valence  contribution :  s =    -0.71557840 p =    -0.34239278
                                d =    -0.01508342 f =    -0.00384224
                                ns      0.00020398
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.13463345
                                   band energy per atom :   -1.9326668695

     coulomb  contribution :   0   5306.23985924  1      0.00202056
                               2     -0.00124274  3     -0.00396985
                               4     -0.00542075  5      0.00055331
                               6     -0.00001682
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.23178295

     ex.-cor. contribution :   0   -339.86155950  1      0.01197227
                               2     -0.00390506  3     -0.01369954
                               4     -0.01401258  5      0.00204579
                               6     -0.00003551
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87919413

     eff. pot. contribution     : -10308.65502053
     total double counting contribution                 :  -5342.30243170

   Total contribution of atom 16 =-13580.43706516
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71082765 p = -1151.10643226
                                d =  -209.57195251
       valence  contribution :  s =    -0.60975985 p =    -0.22910998
                                d =    -0.01352370 f =    -0.00352277
                                ns     -0.00001395
     single particle energies  spin  up    
         core   contribution :  s = -2756.30586755 p = -1152.44599599
                                d =  -211.05919742
       valence  contribution :  s =    -0.71552156 p =    -0.34238705
                                d =    -0.01508360 f =    -0.00384196
                                ns      0.00019937
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.13283843
                                   band energy per atom :   -1.9325650517

     coulomb  contribution :   0   5306.23016963  1      0.00200795
                               2     -0.00124114  3     -0.00397296
                               4     -0.00542076  5      0.00055270
                               6     -0.00001673
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.22207870

     ex.-cor. contribution :   0   -339.86136452  1      0.01197018
                               2     -0.00389373  3     -0.01371060
                               4     -0.01401287  5      0.00204608
                               6     -0.00003539
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87900085

     eff. pot. contribution     : -10308.64746023
     total double counting contribution                 :  -5342.30438238

   Total contribution of atom 17 =-13580.43722081
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71082762 p = -1151.10643226
                                d =  -209.57195251
       valence  contribution :  s =    -0.60975985 p =    -0.22910998
                                d =    -0.01352370 f =    -0.00352277
                                ns     -0.00001395
     single particle energies  spin  up    
         core   contribution :  s = -2756.30586759 p = -1152.44599599
                                d =  -211.05919742
       valence  contribution :  s =    -0.71552156 p =    -0.34238705
                                d =    -0.01508360 f =    -0.00384196
                                ns      0.00019937
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.13283844
                                   band energy per atom :   -1.9325650534

     coulomb  contribution :   0   5306.23016976  1      0.00200795
                               2     -0.00124114  3     -0.00397296
                               4     -0.00542076  5      0.00055270
                               6     -0.00001673
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.22207882

     ex.-cor. contribution :   0   -339.86136452  1      0.01197018
                               2     -0.00389373  3     -0.01371020
                               4     -0.01401407  5      0.00204608
                               6     -0.00003539
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87900164

     eff. pot. contribution     : -10308.64746035
     total double counting contribution                 :  -5342.30438317

   Total contribution of atom 18 =-13580.43722161
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71097250 p = -1151.10676156
                                d =  -209.57232378
       valence  contribution :  s =    -0.60980903 p =    -0.22910713
                                d =    -0.01352429 f =    -0.00352322
                                ns     -0.00001034
     single particle energies  spin  up    
         core   contribution :  s = -2756.30601267 p = -1152.44632602
                                d =  -211.05957005
       valence  contribution :  s =    -0.71557840 p =    -0.34239278
                                d =    -0.01508342 f =    -0.00384224
                                ns      0.00020398
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.13463345
                                   band energy per atom :   -1.9326668700

     coulomb  contribution :   0   5306.23985946  1      0.00202056
                               2     -0.00124274  3     -0.00396985
                               4     -0.00542075  5      0.00055331
                               6     -0.00001682
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.23178317

     ex.-cor. contribution :   0   -339.86155949  1      0.01197227
                               2     -0.00390500  3     -0.01369715
                               4     -0.01401499  5      0.00204579
                               6     -0.00003551
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87919408

     eff. pot. contribution     : -10308.65502076
     total double counting contribution                 :  -5342.30243168

   Total contribution of atom 19 =-13580.43706513
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71093473 p = -1151.10667668
                                d =  -209.57222997
       valence  contribution :  s =    -0.60979230 p =    -0.22918177
                                d =    -0.01352182 f =    -0.00352200
                                ns     -0.00000867
     single particle energies  spin  up    
         core   contribution :  s = -2756.30597504 p = -1152.44624143
                                d =  -211.05947680
       valence  contribution :  s =    -0.71555653 p =    -0.34246846
                                d =    -0.01508109 f =    -0.00384080
                                ns      0.00020425
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.13430382
                                   band energy per atom :   -1.9327691764

     coulomb  contribution :   0   5306.24051133  1      0.00199988
                               2     -0.00123298  3     -0.00396786
                               4     -0.00542375  5      0.00055288
                               6     -0.00001665
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.23242285

     ex.-cor. contribution :   0   -339.86166093  1      0.01196574
                               2     -0.00388276  3     -0.01368562
                               4     -0.01403235  5      0.00204647
                               6     -0.00003534
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87928479

     eff. pot. contribution     : -10308.65621316
     total double counting contribution                 :  -5342.30307510

   Total contribution of atom 20 =-13580.43737891
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71093471 p = -1151.10667668
                                d =  -209.57222998
       valence  contribution :  s =    -0.60979230 p =    -0.22918177
                                d =    -0.01352182 f =    -0.00352200
                                ns     -0.00000867
     single particle energies  spin  up    
         core   contribution :  s = -2756.30597504 p = -1152.44624143
                                d =  -211.05947680
       valence  contribution :  s =    -0.71555653 p =    -0.34246846
                                d =    -0.01508109 f =    -0.00384080
                                ns      0.00020425
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.13430383
                                   band energy per atom :   -1.9327691776

     coulomb  contribution :   0   5306.24051122  1      0.00199988
                               2     -0.00123298  3     -0.00396786
                               4     -0.00542375  5      0.00055288
                               6     -0.00001665
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.23242274

     ex.-cor. contribution :   0   -339.86166092  1      0.01196574
                               2     -0.00388275  3     -0.01368723
                               4     -0.01403196  5      0.00204647
                               6     -0.00003534
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87928598

     eff. pot. contribution     : -10308.65621302
     total double counting contribution                 :  -5342.30307626

   Total contribution of atom 21 =-13580.43738009
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66857160 p = -1151.00795974
                                d =  -209.45088844
       valence  contribution :  s =    -0.59289859 p =    -0.21017889
                                d =    -0.01179534 f =    -0.00318133
                                ns     -0.00922770
     single particle energies  spin  up    
         core   contribution :  s = -2756.26365496 p = -1152.34768080
                                d =  -210.93957348
       valence  contribution :  s =    -0.70285610 p =    -0.32843302
                                d =    -0.01335113 f =    -0.00352516
                                ns     -0.00991794
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.56369423
                                   band energy per atom :   -1.8853651994

     coulomb  contribution :   0   5318.06618452  1      0.00003031
                               2     -0.00317856  3     -0.00000623
                               4     -0.00657227  5      0.00000124
                               6      0.00001119
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.05647020

     ex.-cor. contribution :   0   -339.88692212  1     -0.00002407
                               2     -0.00978611  3     -0.00066006
                               4     -0.04174972  5     -0.00000027
                               6      0.00016107
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.93898128

     eff. pot. contribution     : -10321.14525024
     total double counting contribution                 :  -5343.02776132

   Total contribution of atom 22 =-13580.59145555
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66851018 p = -1151.00782316
                                d =  -209.45074032
       valence  contribution :  s =    -0.59288782 p =    -0.21016913
                                d =    -0.01179469 f =    -0.00318076
                                ns     -0.00922881
     single particle energies  spin  up    
         core   contribution :  s = -2756.26359336 p = -1152.34754349
                                d =  -210.93942399
       valence  contribution :  s =    -0.70284450 p =    -0.32841363
                                d =    -0.01335166 f =    -0.00352513
                                ns     -0.00991823
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.56294885
                                   band energy per atom :   -1.8853143502

     coulomb  contribution :   0   5318.06559769  1      0.00003029
                               2     -0.00317691  3     -0.00000627
                               4     -0.00657177  5      0.00000123
                               6      0.00001118
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.05588542

     ex.-cor. contribution :   0   -339.88691239  1     -0.00002410
                               2     -0.00978668  3     -0.00066709
                               4     -0.04168258  5     -0.00000027
                               6      0.00016115
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.93891196

     eff. pot. contribution     : -10321.14548368
     total double counting contribution                 :  -5343.02851022

   Total contribution of atom 23 =-13580.59145907
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.66851024 p = -1151.00782317
                                d =  -209.45074032
       valence  contribution :  s =    -0.59288782 p =    -0.21016913
                                d =    -0.01179469 f =    -0.00318076
                                ns     -0.00922881
     single particle energies  spin  up    
         core   contribution :  s = -2756.26359326 p = -1152.34754349
                                d =  -210.93942399
       valence  contribution :  s =    -0.70284450 p =    -0.32841363
                                d =    -0.01335166 f =    -0.00352513
                                ns     -0.00991823
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.56294882
                                   band energy per atom :   -1.8853143510

     coulomb  contribution :   0   5318.06559762  1      0.00003029
                               2     -0.00317691  3     -0.00000627
                               4     -0.00657177  5      0.00000123
                               6      0.00001118
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.05588535

     ex.-cor. contribution :   0   -339.88691238  1     -0.00002410
                               2     -0.00978639  3     -0.00066522
                               4     -0.04169023  5     -0.00000027
                               6      0.00016115
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.93891744

     eff. pot. contribution     : -10321.14548360
     total double counting contribution                 :  -5343.02851568

   Total contribution of atom 24 =-13580.59146450
                                   sum of band energies :  -31.6849211138
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.76530215
                                eV  : -3231115.79654805
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:20:50:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           14
25.03.2020 20:20:50:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   4.948902472143247E-010 -1.838061954456607E-006
  0.844593219812027     
 magnetic moment2 is   4.948901677999037E-010 -1.838061954282212E-006
 -0.124611118699215     
 magnetic moment is   5.249471040150167E-011 -3.422754672153147E-003
  4.809256285357733E-002
 magnetic moment2 is   5.249471040150167E-011 -3.422754672153147E-003
 -1.667757534020042E-002
 magnetic moment is  -2.961572293999848E-003  1.715891303007924E-003
  4.809399249367108E-002
 magnetic moment2 is  -2.961572293999848E-003  1.715891303007924E-003
 -1.669345461946881E-002
 magnetic moment is   2.961572306083424E-003  1.715891118723500E-003
  4.809399228815225E-002
 magnetic moment2 is   2.961572306083424E-003  1.715891118723500E-003
 -1.669345515704737E-002
 magnetic moment is  -2.884549695457428E-011  6.880511163432296E-004
  5.050003139376669E-002
 magnetic moment2 is  -2.884549695457428E-011  6.880511163432296E-004
 -2.210071829650346E-002
 magnetic moment is   6.063182424298426E-004 -3.534656373225059E-004
  5.044739959436673E-002
 magnetic moment2 is   6.063182424298426E-004 -3.534656373225059E-004
 -2.214247659042121E-002
 magnetic moment is  -6.063179708933348E-004 -3.534654249665919E-004
  5.044740040158979E-002
 magnetic moment2 is  -6.063179708933348E-004 -3.534654249665919E-004
 -2.214247606584160E-002
 magnetic moment is  -4.022953907996050E-011 -1.120544607402603E-006
  4.838971000557168E-002
 magnetic moment2 is  -4.022953907996050E-011 -1.120544607402603E-006
 -2.441103079587864E-002
 magnetic moment is  -1.497756714659293E-010 -2.972783260601200E-003
  0.163355144627061     
 magnetic moment2 is  -1.497931808973341E-010 -2.978232238746168E-003
 -0.125467921163557     
 magnetic moment is  -2.579064848876587E-003  1.484238836045731E-003
  0.163320135166641     
 magnetic moment2 is  -2.583784826616208E-003  1.486958571154981E-003
 -0.125506377355310     
 magnetic moment is   2.579065572850402E-003  1.484239093749488E-003
  0.163320135091912     
 magnetic moment2 is   2.583785550842056E-003  1.486958828694753E-003
 -0.125506377669641     
 magnetic moment is   1.002231949234264E-011  6.716393660770837E-007
  5.706345072934604E-002
 magnetic moment2 is   1.002231949234264E-011  6.716393660770837E-007
 -1.448573899066508E-002
 magnetic moment is   1.033585776645182E-010  1.017715395073553E-003
  0.292878368582635     
 magnetic moment2 is   1.033581757507729E-010  1.019512796370068E-003
  1.920758154546148E-002
 magnetic moment is   8.824645236978348E-004 -5.111863826093077E-004
  0.292838217310038     
 magnetic moment2 is   8.840320218413382E-004 -5.120947282601200E-004
  1.917226919386844E-002
 magnetic moment is  -8.824644099556737E-004 -5.111863872804385E-004
  0.292838216385583     
 magnetic moment2 is  -8.840319084085833E-004 -5.120947328986828E-004
  1.917226830122078E-002
 magnetic moment is   4.231267118241745E-005  1.301277557840187E-003
  0.263266101617132     
 magnetic moment2 is   4.224156960629371E-005  1.301380414560089E-003
 -7.954625095654311E-003
 magnetic moment is   1.151768430366780E-003 -6.099724693381025E-004
  0.263198423290909     
 magnetic moment2 is   1.151821381667454E-003 -6.100833432382989E-004
 -8.024145786496212E-003
 magnetic moment is  -1.151768322166880E-003 -6.099723505911034E-004
  0.263198423811831     
 magnetic moment2 is  -1.151821273494047E-003 -6.100832244824051E-004
 -8.024145275149955E-003
 magnetic moment is  -4.231224234493174E-005  1.301277692774940E-003
  0.263266098818995     
 magnetic moment2 is  -4.224114080530529E-005  1.301380549502941E-003
 -7.954627720359930E-003
 magnetic moment is   1.102458595164664E-003 -6.864089633613322E-004
  0.263260851785943     
 magnetic moment2 is   1.102580093451597E-003 -6.864037624888309E-004
 -7.961351681661691E-003
 magnetic moment is  -1.102458224413172E-003 -6.864092041292719E-004
  0.263260855180463     
 magnetic moment2 is  -1.102579722715729E-003 -6.864040032582089E-004
 -7.961348472269494E-003
 magnetic moment is  -1.669371473738204E-010 -2.374203736856236E-004
  0.271257854540826     
 magnetic moment2 is  -1.669857745459878E-010 -2.377300102818496E-004
 -1.945555088314299E-002
 magnetic moment is  -2.017695608035019E-004  1.209647972882807E-004
  0.271250176061672     
 magnetic moment2 is  -2.017700887310642E-004  1.209651542155532E-004
 -1.946182022533544E-002
 magnetic moment is   2.017695281662403E-004  1.209649183699927E-004
  0.271250179610362     
 magnetic moment2 is   2.017700560921564E-004  1.209652752974895E-004
 -1.946181684157197E-002
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.35205140  0.38623970    0.0342
          p =  0.09738588  0.11726574    0.0199
          d =  3.32784165  4.11463969    0.7868
          f =  0.00916112  0.00992638    0.0008
          ns  -0.02116982 -0.01820808    0.0030
          ------------------------------------
          TOT  3.76527022  4.60986344    0.8446
                           8.37513366
   ========================== 
      2   s =  0.24112773  0.26018957    0.0191
          p =  0.31118841  0.33229265    0.0211
          d =  0.16355831  0.17767149    0.0141
          f =  0.05920288  0.06905801    0.0099
          ns  -0.11531955 -0.13136137   -0.0160
          ------------------------------------
          TOT  0.65975779  0.70785035    0.0481
                           1.36760814
   ========================== 
      3   s =  0.24100470  0.26010052    0.0191
          p =  0.31088638  0.33200135    0.0211
          d =  0.16339337  0.17746566    0.0141
          f =  0.05914719  0.06897780    0.0098
          ns  -0.11507271 -0.13109242   -0.0160
          ------------------------------------
          TOT  0.65935893  0.70745292    0.0481
                           1.36681186
   ========================== 
      4   s =  0.24100470  0.26010052    0.0191
          p =  0.31088638  0.33200135    0.0211
          d =  0.16339337  0.17746566    0.0141
          f =  0.05914719  0.06897780    0.0098
          ns  -0.11507271 -0.13109242   -0.0160
          ------------------------------------
          TOT  0.65935893  0.70745292    0.0481
                           1.36681185
   ========================== 
      5   s =  0.15861133  0.17836018    0.0197
          p =  0.20929470  0.22771259    0.0184
          d =  0.10766795  0.11817857    0.0105
          f =  0.03653689  0.04180181    0.0053
          ns  -0.02388878 -0.02733104   -0.0034
          ------------------------------------
          TOT  0.48822209  0.53872212    0.0505
                           1.02694421
   ========================== 
      6   s =  0.15853765  0.17826666    0.0197
          p =  0.20928279  0.22767258    0.0184
          d =  0.10770755  0.11820874    0.0105
          f =  0.03654757  0.04181393    0.0053
          ns  -0.02388803 -0.02732698   -0.0034
          ------------------------------------
          TOT  0.48818753  0.53863493    0.0504
                           1.02682245
   ========================== 
      7   s =  0.15853765  0.17826666    0.0197
          p =  0.20928279  0.22767258    0.0184
          d =  0.10770755  0.11820874    0.0105
          f =  0.03654757  0.04181393    0.0053
          ns  -0.02388803 -0.02732699   -0.0034
          ------------------------------------
          TOT  0.48818753  0.53863493    0.0504
                           1.02682245
   ========================== 
      8   s =  0.21151757  0.23034546    0.0188
          p =  0.28499182  0.30397561    0.0190
          d =  0.14373320  0.15628009    0.0125
          f =  0.04026901  0.04778900    0.0075
          ns  -0.04235648 -0.05184534   -0.0095
          ------------------------------------
          TOT  0.63815511  0.68654482    0.0484
                           1.32469993
   ========================== 
      9   s =  0.80356794  0.85363910    0.0501
          p =  0.80007513  0.90609594    0.1060
          d =  0.08705936  0.09198689    0.0049
          f =  0.02067400  0.02238170    0.0017
          ns   0.01045205  0.01108000    0.0006
          ------------------------------------
          TOT  1.72182848  1.88518363    0.1634
                           3.60701211
   ========================== 
     10   s =  0.80360504  0.85365448    0.0500
          p =  0.79975040  0.90575046    0.1060
          d =  0.08706030  0.09199338    0.0049
          f =  0.02068469  0.02239288    0.0017
          ns   0.01047210  0.01110146    0.0006
          ------------------------------------
          TOT  1.72157253  1.88489267    0.1633
                           3.60646520
   ========================== 
     11   s =  0.80360504  0.85365448    0.0500
          p =  0.79975040  0.90575047    0.1060
          d =  0.08706030  0.09199338    0.0049
          f =  0.02068469  0.02239288    0.0017
          ns   0.01047210  0.01110146    0.0006
          ------------------------------------
          TOT  1.72157253  1.88489267    0.1633
                           3.60646520
   ========================== 
     12   s =  0.23216464  0.25602049    0.0239
          p =  0.30951744  0.33463332    0.0251
          d =  0.15907512  0.17552138    0.0164
          f =  0.05101527  0.05946209    0.0084
          ns  -0.11283958 -0.12964094   -0.0168
          ------------------------------------
          TOT  0.63893289  0.69599634    0.0571
                           1.33492923
   ========================== 
     13   s =  0.84467733  0.86529835    0.0206
          p =  1.23476811  1.50735583    0.2726
          d =  0.05043119  0.05149330    0.0011
          f =  0.01192468  0.01209884    0.0002
          ns   0.00260577  0.00103913   -0.0016
          ------------------------------------
          TOT  2.14440707  2.43728544    0.2929
                           4.58169251
   ========================== 
     14   s =  0.84465651  0.86528713    0.0206
          p =  1.23483206  1.50737076    0.2725
          d =  0.05043319  0.05149546    0.0011
          f =  0.01192548  0.01209874    0.0002
          ns   0.00261768  0.00105103   -0.0016
          ------------------------------------
          TOT  2.14446491  2.43730313    0.2928
                           4.58176805
   ========================== 
     15   s =  0.84465651  0.86528713    0.0206
          p =  1.23483206  1.50737076    0.2725
          d =  0.05043319  0.05149546    0.0011
          f =  0.01192548  0.01209874    0.0002
          ns   0.00261768  0.00105103   -0.0016
          ------------------------------------
          TOT  2.14446492  2.43730313    0.2928
                           4.58176805
   ========================== 
     16   s =  0.84634271  0.86626513    0.0199
          p =  1.26570167  1.50832642    0.2426
          d =  0.05039006  0.05200310    0.0016
          f =  0.01181405  0.01226956    0.0005
          ns   0.00425347  0.00290386   -0.0013
          ------------------------------------
          TOT  2.17850196  2.44176806    0.2633
                           4.62027002
   ========================== 
     17   s =  0.84630880  0.86623328    0.0199
          p =  1.26569195  1.50824273    0.2426
          d =  0.05039571  0.05200985    0.0016
          f =  0.01181144  0.01226768    0.0005
          ns   0.00426437  0.00291716   -0.0013
          ------------------------------------
          TOT  2.17847228  2.44167071    0.2632
                           4.62014299
   ========================== 
     18   s =  0.84630880  0.86623328    0.0199
          p =  1.26569196  1.50824273    0.2426
          d =  0.05039571  0.05200985    0.0016
          f =  0.01181144  0.01226768    0.0005
          ns   0.00426437  0.00291716   -0.0013
          ------------------------------------
          TOT  2.17847228  2.44167071    0.2632
                           4.62014299
   ========================== 
     19   s =  0.84634271  0.86626513    0.0199
          p =  1.26570168  1.50832642    0.2426
          d =  0.05039006  0.05200310    0.0016
          f =  0.01181405  0.01226956    0.0005
          ns   0.00425347  0.00290386   -0.0013
          ------------------------------------
          TOT  2.17850197  2.44176806    0.2633
                           4.62027003
   ========================== 
     20   s =  0.84630026  0.86623292    0.0199
          p =  1.26581077  1.50841501    0.2426
          d =  0.05039783  0.05201505    0.0016
          f =  0.01181299  0.01226743    0.0005
          ns   0.00425589  0.00290819   -0.0013
          ------------------------------------
          TOT  2.17857774  2.44183860    0.2633
                           4.62041634
   ========================== 
     21   s =  0.84630026  0.86623292    0.0199
          p =  1.26581077  1.50841501    0.2426
          d =  0.05039783  0.05201505    0.0016
          f =  0.01181299  0.01226743    0.0005
          ns   0.00425589  0.00290819   -0.0013
          ------------------------------------
          TOT  2.17857774  2.44183860    0.2633
                           4.62041634
   ========================== 
     22   s =  0.83716504  0.86005952    0.0229
          p =  1.29653878  1.54410491    0.2476
          d =  0.04799778  0.05083912    0.0028
          f =  0.01216275  0.01248221    0.0003
          ns   0.02419709  0.02183354   -0.0024
          ------------------------------------
          TOT  2.21806144  2.48931929    0.2713
                           4.70738073
   ========================== 
     23   s =  0.83716723  0.86006281    0.0229
          p =  1.29653139  1.54408710    0.2476
          d =  0.04799883  0.05084040    0.0028
          f =  0.01216187  0.01248427    0.0003
          ns   0.02419919  0.02183410   -0.0024
          ------------------------------------
          TOT  2.21805851  2.48930868    0.2713
                           4.70736719
   ========================== 
     24   s =  0.83716723  0.86006281    0.0229
          p =  1.29653139  1.54408711    0.2476
          d =  0.04799883  0.05084040    0.0028
          f =  0.01216187  0.01248427    0.0003
          ns   0.02419919  0.02183410   -0.0024
          ------------------------------------
          TOT  2.21805850  2.48930868    0.2713
                           4.70736719
 
############################################
 
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.375131
       spin moment in wigner seitz cell =    0.844593
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -0.624869
                              spin magnetic moment =     0.844593
 
  Atom    2 charge in wigner seitz cell =    1.367606
       spin moment in wigner seitz cell =    0.048092
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.367606
                              spin magnetic moment =     0.048092
 
  Atom    3 charge in wigner seitz cell =    1.366810
       spin moment in wigner seitz cell =    0.048094
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.366810
                              spin magnetic moment =     0.048094
 
  Atom    4 charge in wigner seitz cell =    1.366810
       spin moment in wigner seitz cell =    0.048094
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.366810
                              spin magnetic moment =     0.048094
 
  Atom    5 charge in wigner seitz cell =    1.026943
       spin moment in wigner seitz cell =    0.050500
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.026943
                              spin magnetic moment =     0.050500
 
  Atom    6 charge in wigner seitz cell =    1.026822
       spin moment in wigner seitz cell =    0.050447
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.026822
                              spin magnetic moment =     0.050447
 
  Atom    7 charge in wigner seitz cell =    1.026822
       spin moment in wigner seitz cell =    0.050447
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.026822
                              spin magnetic moment =     0.050447
 
  Atom    8 charge in wigner seitz cell =    1.324696
       spin moment in wigner seitz cell =    0.048390
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.324696
                              spin magnetic moment =     0.048390
 
  Atom    9 charge in wigner seitz cell =   49.607009
       spin moment in wigner seitz cell =    0.163355
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.392991
                              spin magnetic moment =     0.163355
 
  Atom   10 charge in wigner seitz cell =   49.606462
       spin moment in wigner seitz cell =    0.163320
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.393538
                              spin magnetic moment =     0.163320
 
  Atom   11 charge in wigner seitz cell =   49.606462
       spin moment in wigner seitz cell =    0.163320
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.393538
                              spin magnetic moment =     0.163320
 
  Atom   12 charge in wigner seitz cell =    1.334927
       spin moment in wigner seitz cell =    0.057063
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =     1.334927
                              spin magnetic moment =     0.057063
 
  Atom   13 charge in wigner seitz cell =   50.581690
       spin moment in wigner seitz cell =    0.292878
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.418310
                              spin magnetic moment =     0.292878
 
  Atom   14 charge in wigner seitz cell =   50.581766
       spin moment in wigner seitz cell =    0.292838
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.418234
                              spin magnetic moment =     0.292838
 
  Atom   15 charge in wigner seitz cell =   50.581766
       spin moment in wigner seitz cell =    0.292838
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.418234
                              spin magnetic moment =     0.292838
 
  Atom   16 charge in wigner seitz cell =   50.620268
       spin moment in wigner seitz cell =    0.263266
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.379732
                              spin magnetic moment =     0.263266
 
  Atom   17 charge in wigner seitz cell =   50.620140
       spin moment in wigner seitz cell =    0.263198
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.379860
                              spin magnetic moment =     0.263198
 
  Atom   18 charge in wigner seitz cell =   50.620141
       spin moment in wigner seitz cell =    0.263198
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.379859
                              spin magnetic moment =     0.263198
 
  Atom   19 charge in wigner seitz cell =   50.620268
       spin moment in wigner seitz cell =    0.263266
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.379732
                              spin magnetic moment =     0.263266
 
  Atom   20 charge in wigner seitz cell =   50.620414
       spin moment in wigner seitz cell =    0.263261
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.379586
                              spin magnetic moment =     0.263261
 
  Atom   21 charge in wigner seitz cell =   50.620414
       spin moment in wigner seitz cell =    0.263261
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.379586
                              spin magnetic moment =     0.263261
 
  Atom   22 charge in wigner seitz cell =   50.707379
       spin moment in wigner seitz cell =    0.271258
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.292621
                              spin magnetic moment =     0.271258
 
  Atom   23 charge in wigner seitz cell =   50.707365
       spin moment in wigner seitz cell =    0.271250
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.292635
                              spin magnetic moment =     0.271250
 
  Atom   24 charge in wigner seitz cell =   50.707365
       spin moment in wigner seitz cell =    0.271250
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  14 charge neutrality in unit cell =    -1.292635
                              spin magnetic moment =     0.271250
 
                    TOTAL mag. moment in unit cell =     5.007480
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:24:23:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:23:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.4455D-01  ,  v+ - v- =  3.1309D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.6195D-01  ,  v+ - v- =  3.4022D-03
      rms-error for atom  2 :v+ + v- =  3.0268D-02  ,  v+ - v- =  3.7202D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  2.5296D-02  ,  v+ - v- =  1.2120D-03
      rms-error for atom  3 :v+ + v- =  3.0516D-02  ,  v+ - v- =  3.7200D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  2.5862D-02  ,  v+ - v- =  1.2146D-03
      rms-error for atom  4 :v+ + v- =  3.0516D-02  ,  v+ - v- =  3.7200D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  2.5862D-02  ,  v+ - v- =  1.2146D-03
      rms-error for atom  5 :v+ + v- =  5.1731D-02  ,  v+ - v- =  4.3825D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.9682D-02  ,  v+ - v- =  7.2647D-04
      rms-error for atom  6 :v+ + v- =  5.1588D-02  ,  v+ - v- =  4.3827D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  2.0092D-02  ,  v+ - v- =  7.2897D-04
      rms-error for atom  7 :v+ + v- =  5.1588D-02  ,  v+ - v- =  4.3827D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  2.0092D-02  ,  v+ - v- =  7.2897D-04
      rms-error for atom  8 :v+ + v- =  3.2605D-02  ,  v+ - v- =  4.0695D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  2.0502D-02  ,  v+ - v- =  1.0394D-03
      rms-error for atom  9 :v+ + v- =  4.3275D-02  ,  v+ - v- =  4.3584D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.8548D-02  ,  v+ - v- =  7.5799D-04
      rms-error for atom 10 :v+ + v- =  4.3384D-02  ,  v+ - v- =  4.3585D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.8713D-02  ,  v+ - v- =  7.5786D-04
      rms-error for atom 11 :v+ + v- =  4.3384D-02  ,  v+ - v- =  4.3585D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.8713D-02  ,  v+ - v- =  7.5786D-04
      rms-error for atom 12 :v+ + v- =  6.1520D-02  ,  v+ - v- =  3.6780D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  2.0181D-02  ,  v+ - v- =  1.0251D-03
      rms-error for atom 13 :v+ + v- =  5.6094D-02  ,  v+ - v- =  3.5560D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  2.0913D-02  ,  v+ - v- =  8.1019D-04
      rms-error for atom 14 :v+ + v- =  5.6158D-02  ,  v+ - v- =  3.5561D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  2.0978D-02  ,  v+ - v- =  8.1238D-04
      rms-error for atom 15 :v+ + v- =  5.6158D-02  ,  v+ - v- =  3.5561D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  2.0978D-02  ,  v+ - v- =  8.1238D-04
      rms-error for atom 16 :v+ + v- =  3.9192D-02  ,  v+ - v- =  3.5868D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  1.4977D-02  ,  v+ - v- =  9.5565D-04
      rms-error for atom 17 :v+ + v- =  3.9122D-02  ,  v+ - v- =  3.5869D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  1.4951D-02  ,  v+ - v- =  9.3661D-04
      rms-error for atom 18 :v+ + v- =  3.9122D-02  ,  v+ - v- =  3.5869D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  1.4951D-02  ,  v+ - v- =  9.3661D-04
      rms-error for atom 19 :v+ + v- =  3.9192D-02  ,  v+ - v- =  3.5868D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  1.4977D-02  ,  v+ - v- =  9.5565D-04
      rms-error for atom 20 :v+ + v- =  3.9174D-02  ,  v+ - v- =  3.5869D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  1.4960D-02  ,  v+ - v- =  9.7018D-04
      rms-error for atom 21 :v+ + v- =  3.9174D-02  ,  v+ - v- =  3.5869D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  1.4960D-02  ,  v+ - v- =  9.7018D-04
      rms-error for atom 22 :v+ + v- =  3.7365D-02  ,  v+ - v- =  3.9181D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  1.3538D-02  ,  v+ - v- =  6.0545D-04
      rms-error for atom 23 :v+ + v- =  3.7336D-02  ,  v+ - v- =  3.9180D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  1.3558D-02  ,  v+ - v- =  6.0702D-04
      rms-error for atom 24 :v+ + v- =  3.7336D-02  ,  v+ - v- =  3.9180D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  1.3558D-02  ,  v+ - v- =  6.0702D-04
      ITERATION  14 average rms-error : v+ + v- =  6.4382D-02
                                        v+ - v- =  3.8595D-02
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.318174412755565E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.916266214176265E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.149191177514505E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.460428385105665E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.340295463878586E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.715511248301039E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.275017121469727E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.789291619406649E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.377231139036125E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.188308389367541E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.491462815330153E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.639082527329460E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.872005741133801E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.836240568699916E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.859240924448764E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  5.147321622608729E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.316551073704516E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.870680185807016E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.343918061763686E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.409483127678832E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.327529474440215E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.058595008659085E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.110071667428418E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  9.247639117786828E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  8.000279700237533E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.431620023820343E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.250388756419340E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.130017565889360E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.837533123222263E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.749235506786350E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.152546663332261E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.305518807018415E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  7.967702701989106E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.671528702176767E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.891231023985995E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  5.467379712433963E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.295450571216811E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.401394794857110E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  4.070615810271915E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.683161337343858E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  6.980971264695465E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.823977315759471E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.384595983816272E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.533750589765662E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.217984593348629E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.921516889849083E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.860854071976807E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.697610104124285E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.805605773349272E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  4.876607883754891E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.014054260852706E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.556898820563546E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.380927240996441E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.129669443014486E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  7.873220762273081E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  9.311880649887912E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.083673185734577E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.050889812139793E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  4.483817210105512E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.663823368015709E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.253280137768749E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  5.656236527764745E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.251027323915544E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  4.138447699254929E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  7.179186059463416E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  9.767188064189979E-007
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  7.009826940715582E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  2.440131876459180E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  4.233550131763906E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  5.474877066267060E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  4.287768496466508E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  7.953603010516647E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  3.942554938908286E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  3.894037194600025E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  4.484551852209342E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  2.231690271642176E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  4.840816037211252E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  4.182229011231637E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  6.818562163989302E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  5.656236097867514E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.250627537931306E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  4.138447554530559E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  7.179187115550979E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  9.761014252652546E-007
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  7.009826578062111E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  2.440131756994893E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  4.233550049202489E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  5.474876786457259E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.288553096334432E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  7.952603377841223E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  3.942554884603387E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  3.894037500849666E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  4.484551614236533E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  2.231690153019909E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  4.840635259937901E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  4.182228723344071E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  6.818563282241104E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  6.625598196801214E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.731736590377133E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.173007936819589E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  8.847084137449009E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  2.892951341872976E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  9.964105548127503E-004
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  9.399701436459173E-012
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  5.124237668022378E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.338873969777546E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.709058852239709E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  7.232208592403196E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.440988558593687E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  4.409857217058241E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.219114749371386E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  6.598079195012682E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.293197560826063E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  6.860093241467975E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.593479473957242E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  2.162062346111135E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.064275365060435E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.264260651455320E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  8.583467586874262E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.339009744742176E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.298243444337403E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.592758026405274E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  2.903023254923359E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.300290415498182E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  7.187507067287195E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.871696000352653E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  6.918053534925609E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.566674112373793E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  8.847369393138426E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.549742666698484E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  9.983425761597054E-004
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  7.355339968064816E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.174289338542483E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  5.699874672101621E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  3.806069596111551E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  3.612325037359282E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  6.248380566398345E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  2.206738432322399E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.468576252508296E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  3.292295594455009E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  2.894649861964051E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  6.867551371615893E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  2.164038130129877E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  2.346166802899954E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.359093504755761E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.464725374306365E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  4.536932856717518E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  5.991547358631229E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  6.207369908543763E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.449427494720189E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.524380893695623E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  3.591598555964486E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.470060905539494E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  3.459144277951403E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  7.856094232034746E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  8.847369061141770E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.549742439613958E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  9.983425356436509E-004
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  7.355339776424527E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.174263666067367E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  5.699876173711092E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  3.806070612597264E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  3.612324925777853E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  6.248382289343224E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  2.206738381070387E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.469283726829510E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  3.292295525562377E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  2.894649695635269E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  6.867551192581691E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  2.164037998645494E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  2.346166618644633E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.359086441396962E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.466046289919805E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  4.536932752685218E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  5.991549817475964E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  6.207370575501775E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.449427424069799E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.524382457159154E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  3.591598444425680E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.470019308856391E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  3.459144164349860E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  7.856096938337614E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.098156133048406E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.851881634628555E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.549637598613898E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.153570372135154E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.595430800582729E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.578483727678313E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.017326844012647E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.672951508405490E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.114855479033084E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.235138741029999E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.131412412234801E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.539038455757168E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.670835231089388E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.281328504252181E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.918980500225960E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.784390800457457E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.714331994144698E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.846531504873935E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.900585676070173E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.199257184555987E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.440768015142700E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.377303425737636E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.179729046340154E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.121353063740869E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.280727947483301E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.551665388911958E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.230882111002469E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164779957528555E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.103863812564873E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.013686193431202E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.924352152857903E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.242121541259244E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.058266467870939E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.563460687074402E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.445805577476883E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.392197215935648E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.255531287032644E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  3.618137769815544E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  7.433436117023736E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.823851490520630E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  5.676822209815331E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  4.789943569670860E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.047814433474699E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  2.871916802560281E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.745974413991706E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.876641374680686E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  4.476089888160156E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  8.078425160484095E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  5.253518204039619E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  9.081739101122098E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  4.362242334232193E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  3.896252947068607E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  5.673984865543043E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  4.433067393749370E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.275550592414117E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  3.856312569791449E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.481068125057666E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.052466792953682E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.179734224459162E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  2.586249338343718E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.333045878629427E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.106745788895055E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  6.861443641421147E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.547257347862049E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  5.201219474892304E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.923032789707128E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  3.290721621116854E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  5.989885035149975E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  2.412921490979322E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  4.132237176570467E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.165960668679621E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  3.777352396026127E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  4.530046126181328E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  2.233197833172037E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  3.876880239853597E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  2.621042505288851E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.667331615902372E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  2.167920739620476E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.921358076581857E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  3.353474631253421E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  4.961813746977226E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.915357704455309E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.610924465787320E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  4.525720345503271E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  3.380894503826874E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.580831144880164E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.303585885440129E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  2.858529897353761E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  4.495851043717693E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  3.429270469693426E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  5.944748368246684E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  2.604883566904884E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.751002856682325E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.641524528739273E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  2.236259075091340E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  2.412921239513594E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  4.132237071123765E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.166055075637370E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  3.777352883994752E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  4.530047044736377E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  2.233197721011947E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  3.876881251532225E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  2.621042308964141E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.667508737485321E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  2.167920547174321E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.921357998981561E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  3.353474915169026E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  4.961813529524553E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.915357722707603E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.610955546555437E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  4.525720126806993E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  3.380894836569889E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.581992714784603E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.303585960824480E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  2.858531037506545E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  4.495850387799065E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  3.429270348229354E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  5.944748466117406E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  2.604883472015996E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.751720825204858E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.641524421924134E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  2.236257640478794E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  5.900395605110239E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.849405144308608E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.678538404261767E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  4.051253259281097E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.949647815030752E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  8.440535687124699E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.392977999219696E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  8.768400888125100E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.885894364484517E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.706220112230376E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.362031967448691E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.958178798939928E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.030247689366860E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.470331025212909E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.905371983246667E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.076669042941739E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.180939140828380E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  7.338879219079997E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  1.054395246461012E-006
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.011559742846399E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.887827389254329E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.639530801009696E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.510108996681609E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.371576605031013E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.247872365687869E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.817080012159026E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.387773483897375E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.288576266235358E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  5.672394539888800E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.272688502228653E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.303769971486735E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.113975979331556E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.908875806459283E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.564209521050727E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.026908907802625E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.064498173079924E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.409171696066083E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.701224931290568E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.447142109406815E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.288375343916162E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  3.590840117432386E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  9.996477290071549E-011
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.810712445556073E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.699082073017277E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.376360449879311E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.137734669653656E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  4.771536151651848E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.718978268840200E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.815625037196136E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.620054615601230E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  5.052124554588056E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.203235134777465E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.125143246786304E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.372476770058939E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.087678577437296E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  3.674291748311338E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.089900512863830E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.868206136955576E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.943668610754577E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.041948189074528E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  1.092231045256072E-004
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.355779240454334E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.208888558231508E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  1.103520147636067E-004
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.557610123986104E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.721513801750646E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.868697085329206E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  8.956665473990178E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  3.131734673176536E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.812820459634975E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  2.090797868680801E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.937188106211443E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.404368423187086E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  2.397704634898770E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  4.143643437633071E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  2.164982811762977E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.469991470794684E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  8.051208584975950E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  2.533368454121484E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.625271448226881E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  3.200173279066305E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  6.932859416614598E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.188847505022155E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.844115208762523E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.489784382476596E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  9.380040263911505E-005
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  4.401389549958594E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.824757125435301E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  5.478698179909570E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.497840588854419E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  5.540087560072266E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  9.590752574974563E-005
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  8.617414146846850E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.029883987873700E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.262809967571400E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  9.523393451602706E-005
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  3.131731522388376E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.812820386029360E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  2.090797808565514E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.936786891713065E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.404370654803567E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  2.397704500842940E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  4.143646481501267E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  2.164982714725537E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.469868765238801E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  8.051208318462778E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  2.533368412609630E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.625271627819256E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  3.200174664724546E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  6.932858820484803E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.188848716600910E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.844115135615911E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.490911922376380E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  9.380039745476794E-005
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  4.401391932881348E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.823376129845788E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  5.478698016721867E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.497840862792865E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  5.540087286117673E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  9.590754971865324E-005
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  8.617413744511375E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.028865162523998E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.262809892318837E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  9.523391709733925E-005
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  1.018800377067238E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.656590287454036E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  2.664214159218494E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  3.445292958676165E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  3.040121491003109E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  1.257733946984348E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.125382909616621E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  2.181341617997989E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  4.325781000925839E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  6.750475319570654E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  6.825874991206143E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  4.436006610016765E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.838677212573685E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.890013775716170E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.141939869080140E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  1.087147328161948E-004
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.991329451875408E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  2.285587993058915E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  4.043782617734190E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  4.193502051656957E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  7.922840739282369E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.671274327822131E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.934437423029790E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  4.723059066836199E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  8.081314618043551E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  3.777876854594387E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.975597091562458E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  5.304740378675426E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.584784627999065E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.510392058109412E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  2.174286342552263E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  2.285142616540694E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  4.009186663270539E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  7.134783466946781E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  3.438014420367451E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.472283476345083E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.229139350963613E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.978236432590356E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  2.608158211837796E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.990649942857175E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  8.087871795029010E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  2.177457267285982E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  1.123328471704057E-004
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  9.727828234937199E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  2.813140154781011E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  7.704394913657546E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  4.748471540711721E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.926905574716628E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.222599555923315E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.597936552361767E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  4.167174934501660E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  6.412572596657840E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.128104383706933E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  5.623469246225269E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  5.230415474450872E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.679941706450934E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  4.045934553106160E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.204753186635924E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  8.053506904012855E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  5.241833269678933E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  4.210038964716563E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  2.933764309778968E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.394034433504283E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  3.152516633629721E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  5.074102006569250E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  2.251399050777190E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.748043075291399E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  6.467462661472976E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  3.438009371388454E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.472283409443244E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.229132061142829E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.978244315421175E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  2.608157968635933E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.990650913161523E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  8.087871994713501E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  2.177455497144963E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  1.123325584677286E-004
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  9.727837395393658E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  2.813139914083753E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  7.704361750961862E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  4.748470660532072E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.926918419118770E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.222598542370045E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.597936367266977E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  4.167187898395969E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  6.412550994918787E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.128103695689871E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  5.623457312690966E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  5.230415026286449E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.679955419512241E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  4.045933563953061E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.204751071729840E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  8.053487916430255E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  5.241832416867294E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  4.210044068001486E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  2.933756993426829E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.394034160369712E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  3.152509335091444E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  5.074101366412684E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  2.251388802265320E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.748042150892633E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  6.467446332155052E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  1.018800412808297E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.656583283586439E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  2.664213993688845E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  3.445283467337802E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  3.040121518459153E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  1.257732758136722E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.125382977672427E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  2.181342922921683E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  4.325766469232046E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  6.750485235544529E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  6.825874511807454E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  4.435974729514790E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.838677946644616E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.890001638916904E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.141939669881998E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  1.087147172226615E-004
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.991343735777582E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  2.285591024808403E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  4.043782603452075E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  4.193489583840845E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  7.922839980334540E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.671260515285375E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.934438097505134E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  4.723042746479457E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  8.081331404919526E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  3.777876553269045E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.975602399120943E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  5.304733432983703E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.584784256212376E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.510397491545802E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  2.174286259704317E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  2.285152282889893E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  4.009187177572985E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  7.134767298746177E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.254836682712307E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.584773637592175E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.565832217660751E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.152301903451067E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.094346137684616E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.589619173704669E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  3.299674936556864E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.590600208636438E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  2.185813673678244E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.972481539948488E-005
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  6.327368118388290E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  6.570261837044685E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  4.406649566652342E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  9.594654312267008E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.928527313493271E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  7.851792460221668E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  9.087498085028761E-005
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  2.721675424381987E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  7.331466932299371E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  5.570587743715807E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.855480178284953E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  3.335649201696308E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.762274383750358E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  5.390795291425596E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  6.983074004988639E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  8.058494560831538E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  7.504203625706593E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.753813510817542E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.709600080220739E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.986915442746386E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  3.204455073538218E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  4.574136526145234E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  2.269194208701590E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  4.460936739782048E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  3.064610603281906E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.254837063615175E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.584769696552620E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.565832139142142E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.152304328982492E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.094347011671088E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.589619410346639E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  3.299675894986369E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.590600384155752E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  2.185815136546399E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.972456794989740E-005
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  6.327371494234278E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  6.570261789369837E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  4.406628531592239E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  9.594654799953931E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.928515148682710E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  7.851791796758112E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  9.087498053102002E-005
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  2.721666306094383E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  7.331448495612422E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  5.570588170693050E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.855473470159998E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  3.335649077273486E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.762260931297931E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  5.390795751411621E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  6.983054206735250E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  8.058512170343527E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  7.504203821004041E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.753812430405174E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.709604443134094E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.986915429826498E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  3.204446695044518E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  4.574136573959432E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  2.269203991707967E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  4.460936832869387E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  3.064616813579951E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  7.379147955319479E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.298404875888481E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.798856550232166E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  2.262708561477458E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.183520823031684E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  1.187726249749997E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.612129024022192E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  7.757670343812360E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  2.135847895155894E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  4.310502935896282E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.205716377025440E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.571736994919827E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  2.367308063095822E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.400484171406142E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  1.011559622236970E-004
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.323197164232876E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  3.553655993921376E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  3.075167568569815E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.020349748438363E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  5.040580015480793E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.243529585270000E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.817591617113593E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.769351476728216E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  2.928337213808806E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  8.333538680726502E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.693767040210412E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  1.830025972133041E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  9.172283131110698E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.690340395187332E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  6.109006450557859E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.563549639612464E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.254983337702160E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  1.041500771540485E-004
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.410289551304275E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  8.593050468128179E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.225127672093514E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  3.421681848439829E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.411655512543584E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  1.923815867910237E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  1.264781664772538E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  2.268075243873055E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.117777226459542E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.192060635522096E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.848369565951372E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.280162333022126E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  2.284516712488600E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  1.078916104648062E-004
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.851929932611957E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  3.285347180717439E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  8.461567931491361E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.208410829304158E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  2.138261588771200E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  4.931825009085362E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.472475223585246E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.861237863006192E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.555976193739376E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  1.585600613420450E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  5.074361499381432E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  7.313716084860200E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  8.943104856591665E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.761148053692745E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.581671372917760E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.207243988271392E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.398481897696935E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  9.175371043551477E-006
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.699843907440202E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.958786784528966E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  3.071001459808105E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  3.431057173560119E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  7.672472893557841E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  5.263030057870832E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  9.325228757546746E-005
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  4.418521482802488E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.483866140775397E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.917224599085013E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  5.323505127077441E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  1.923809457438170E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  1.264781449783422E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  2.268063626090332E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.117777276046021E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.192060692888685E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.848369814117669E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.280162233942235E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  2.284516530459915E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  1.078916210812047E-004
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.851984454237894E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  3.285324359307338E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  8.461568968520744E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.208410763617219E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  2.138256818777175E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  4.931825244425680E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.473608899037879E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.861237549336159E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.555976205385332E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  1.585600541093759E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  5.074362213303466E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  7.313718858191095E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  8.943104640723808E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.761147817958615E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.581671345010336E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.207243636028963E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.398455467433731E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  9.175372097141943E-006
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.699844695309774E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.959044117306902E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  3.071001544471751E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  3.431026426118234E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  7.672447830495098E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  5.263029652101832E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  9.325227378674159E-005
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  4.418521213705864E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.469307315517100E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.917224311313222E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  5.323477038083672E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.123228849421914E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.971322621229037E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  2.360895045839459E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.906945404728538E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.510143193975514E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.529656867988630E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  9.041724761948245E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.930814628000597E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.161793917840420E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  3.007059048032789E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.689313053542250E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.610274510698577E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.498783791428522E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.559555421187684E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.878535673438456E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.698188955067273E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.410085180851202E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.018898508536644E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.231216131879791E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.399285999392674E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.229253011943030E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.059432271076712E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  8.051651419786356E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  8.955136507188044E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.526231750923094E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.324339513439258E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.083897628313791E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.102395108350260E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  5.874138070588274E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.155315014804805E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.701986488639901E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.963441047812098E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.357356771200390E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.651696705950935E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.887843674212884E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.354915408624493E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  8.501299273028003E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.451713052044410E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.469644832052718E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.069775809443941E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.579143145792298E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.923032735730018E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.630530304043287E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.687292326352252E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.224014492296217E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  2.007770931240299E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.056872905937794E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  1.003847236760431E-010
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.860997352376355E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  5.450455153734356E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.060113114758262E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.417195834787579E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.100297908625092E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.116442090579239E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  8.429863636198697E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.659581687897021E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.079250798804373E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.121882418869752E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  4.803085251435786E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.726643809917374E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.334241769196753E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  5.121430170520628E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.749335551882020E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  4.352086466663324E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  7.554525637145624E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.074153088344435E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  7.721329113628091E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  2.716730970113808E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  4.714228120408704E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  5.323953128553274E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.779535818518429E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  5.999259321672617E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  4.222247178571548E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  4.170863481568858E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  4.587779762464230E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  2.390883603904093E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.425978301109925E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  4.345178328788822E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  7.303681800694854E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  5.121429857739653E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.748897541474369E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  4.352086355469057E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  7.554526769494289E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  3.068874176200700E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  7.721328868335364E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  2.716730890356477E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  4.714227930041043E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  5.323952894539471E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.779830085521191E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  5.998291695066363E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  4.222247144952009E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  4.170863911077317E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  4.587779560972155E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  2.390883495279738E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.425664498754279E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  4.345178077416856E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  7.303683033413285E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  8.636690336849504E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  3.223909180569469E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.718186934144707E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  8.876945362047038E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  3.157026913183336E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  1.031189620049346E-003
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.213586069345492E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  6.151134302965093E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.374692434438148E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.012791655622726E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  7.782681883790290E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.479671647215815E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  4.995192982533605E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.306511648823545E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  6.888149084407894E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.266329859393033E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  6.811672785696894E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  3.044667651013806E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  2.529815707969337E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.237596185226162E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.308689572814465E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.118873953886571E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.234509524134737E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.396412573443395E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.309366963266110E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  3.001582823218725E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.401549835424318E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  7.757948255110113E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.914075492517202E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  7.441184814489508E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.724256498182915E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  8.874355640360243E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.322909667243136E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  1.032871659289752E-003
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  7.445841700686935E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.317093118773529E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  5.952273739428033E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  4.314281419025054E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  3.883995672412095E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  6.723131844593265E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  2.503004402638280E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  4.045028349887450E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  3.434742470008631E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  2.715394392462806E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  6.819293800950793E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  2.533012684331535E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  2.443766109196351E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.541507529895458E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.372912645435615E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  4.808686791208694E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  6.444389052037155E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  6.699844102782019E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.498465559057709E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  2.609606153421996E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  3.872815386044691E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.698463348438292E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  3.717749520673561E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  8.332971567334835E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  8.874355401997909E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.322909338624404E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  1.032871639965546E-003
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  7.445841545925711E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.317072298835043E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  5.952275562124157E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  4.314282607583137E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  3.883995505507395E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  6.723133656309581E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  2.503004337498193E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  4.045753568771602E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  3.434742366830156E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  2.715394267819166E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  6.819293656070916E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  2.533012532219366E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  2.443765966395686E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.541499169363202E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.374275133350426E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  4.808686637882314E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  6.444391690384123E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  6.699844943031950E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.498465475521150E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  2.609607733672628E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  3.872815243140545E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.698347278700127E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  3.717749370239161E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  8.332974483118076E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.345686218661704E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.007288004030504E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.736226329855162E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  8.055516219828795E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.134302434232808E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.106379449672293E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.027099306675738E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.372107143704863E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.245191141080315E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.807165660511371E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.192847315527338E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.617961838114770E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.874565933015741E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.429445365685033E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.987271919432588E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.173591702591161E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.806882032846672E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.151408215951930E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.181109421407191E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.691315245973762E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.748921027777210E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.567471274376293E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.295092350358272E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.398641144796553E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.344338429051961E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  4.019989702999763E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.868129773702760E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.170303035718835E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  9.558769664455801E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.080321762046663E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.396208455751700E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  7.086858148226277E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.505051278262473E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.765133579868086E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.462214524549778E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.754371749482610E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.345216681978940E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.615618967182268E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  7.659500727224931E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.367133930886941E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  7.012060281040640E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  5.781303293665185E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.802541900802447E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  1.741572026874106E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.406588441156902E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  8.206635705957765E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  4.706313714154649E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.439543570180449E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  4.866277398339787E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  9.752641900298650E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  4.033614361502109E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  3.754343652753285E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  5.361366342809940E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  6.491418118051039E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  6.068458496027767E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  3.402078658638346E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.842061397791266E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  9.966579715967866E-012
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.497419416974421E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  2.375677624070179E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.871330613292986E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.554585459214432E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  7.201677463084783E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.698675229264111E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  5.487908845972616E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.803745175028196E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  3.334820567514939E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  5.774995585604715E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  2.910542659297576E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  4.984746310320796E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.803212960540215E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  3.493879942873490E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  4.193711690741011E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  2.347728734332518E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  4.075509604815249E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  2.427171605830164E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.098106634957357E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  2.002915055651758E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.848972124244932E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.960745108820255E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  5.238091010378002E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.687556156242447E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.778165982134338E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  4.237540449707294E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  3.258442634403123E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.114325497805625E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.197562677004613E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  2.897171070341442E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  4.742370932953812E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  3.598882903730973E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  6.238436602457976E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  2.748392402550749E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.227798386799741E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.663409318469297E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  2.053172831292809E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  2.910542341142698E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  4.984746471230913E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.803300961831956E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  3.493880513235712E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  4.193712618278951E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  2.347728636944452E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  4.075510741590544E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  2.427171490164692E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.098277406629210E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  2.002914926203641E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.848972051468346E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.960745376668548E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  5.238090810421381E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.687556163424743E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.778194889999720E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  4.237540294124316E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  3.258442909034154E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.115514868686748E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.197562718013555E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  2.897172171438910E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  4.742370311921867E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  3.598882791381482E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  6.238436744838912E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  2.748392330236282E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.228529720747275E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.663409227907055E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  2.053171525487340E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  5.153598333456290E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.651996003572843E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.914187966244884E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.256319102752641E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.067848138653008E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  1.081028600238788E-006
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.145633028159642E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  7.952048678849747E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.140214386754027E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.859131260516011E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.587994509990448E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.060453907373866E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.025108448630441E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  8.024722044212219E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.916070710079513E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  9.786162879714108E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.212457156633290E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  8.255728954599184E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  9.763948460767033E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.982861343276405E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.446557912425855E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.149530827459310E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.890679019148467E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.742548878664745E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.357874155107026E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.744868553719609E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.489108879861628E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287031821193910E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  5.930988100319247E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.699145267891891E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.539917668842204E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.163966115290287E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.449292259632847E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.561814028310291E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.024717806195948E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.124558947309024E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.635094401952025E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.725555551103978E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.437072997055118E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.910683800578106E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  3.801111196904699E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.888999152380826E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.425775157011948E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.775815189606710E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.349626578632801E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.087803635049555E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  4.525393563993645E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.645062306487557E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.184288973940175E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.284081090487939E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  9.954222169639279E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.223950797457772E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.130718123589412E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.151979543197437E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  7.964225391828888E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  4.095119576292771E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.032098441947781E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.901647404491464E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.018647748552885E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.000769930556014E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  1.196332995009757E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.676803100580634E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.064511423840776E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  1.154796638015277E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.474051834504250E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.820475871143937E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.646603611710163E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.696786231417843E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  3.314911758261962E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.913565171449930E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  2.413557137062222E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.643485094115517E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.979866711062580E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  2.277175549949291E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  3.931438737366332E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.866113138565798E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.387885180948556E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.137114172672599E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.884920822199087E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.654247322387944E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  3.566105361285737E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  5.833532387177340E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  9.977960799650543E-005
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  2.053722040801967E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.357090204998240E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  9.519174170863421E-005
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.628144423703385E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.633412936297166E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  5.990347092133688E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.584001542043017E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  5.785214929795283E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  1.003273466617546E-004
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  9.101488286508791E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.790491793783553E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  9.515850182067132E-005
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  1.042931946236022E-004
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  3.314908893366595E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.913565092241455E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  2.413557003288318E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.643303659255521E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.979869147861810E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  2.277175417615195E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  3.931441676101733E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.866113047373336E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.387779292165990E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.137114123801582E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.884920768355973E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.654248806016667E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  3.566106893800374E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  5.833531933120506E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  9.977974559321376E-005
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  2.053721941938803E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.358202002685515E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  9.519173702454158E-005
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.628161534216196E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.632099231133780E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  5.990346840278432E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.584001753945035E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  5.785214612844209E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  1.003274205594777E-004
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  9.101487868381632E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.789548807516178E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  9.515849617114821E-005
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  1.042931713930634E-004
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  3.100204857996182E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.520354167680185E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.523702199500543E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  9.344275645479030E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.720057714745301E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  2.005025639423848E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  1.008742571845494E-004
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  2.057633038202234E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.337922894939551E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  8.733329106415963E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  7.454891329155884E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  5.742481462933254E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.323677675526659E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  2.022268995941418E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  4.101724790667648E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.246901987621911E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.655199443007282E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  4.017510763169409E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  6.138847426983157E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  4.021068836401280E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  5.312242792221408E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.848627216676455E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.241532673146734E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  7.533761145628225E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  7.501407154864786E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  3.147074715503835E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  6.650352497877422E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.210032624890157E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  3.292475727831976E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.790150986755684E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.894455874912693E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  2.168319808714832E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.050908842228923E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  3.983744967487261E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.757703343893677E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.539608747978294E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  9.059301708404791E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.279441792594596E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  3.113325943259711E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.309872675607672E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.257640330590021E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  2.055509170184859E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  6.675455968103240E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.270148893144716E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.514856480306352E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  3.714881356538327E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  8.853584921972010E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  2.048437658066929E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.233463275800349E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  6.661821880630781E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  9.233708534234549E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.635047614759859E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  6.195362797342075E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  4.008972856593445E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  6.020008611880423E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.849155211400836E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.757701435422703E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  4.552043254102857E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  7.480586906839396E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  3.790920279018332E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  5.652724132737068E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  2.454752358325274E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  2.977976436292154E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  2.128011752032620E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.612831047892069E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  2.141009055334724E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.081546749539210E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  3.635585224283570E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.757699082959056E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.539608727115199E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  9.059241309063027E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.279446480197658E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  3.113325687736823E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.309873922667162E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.257640345608923E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  2.055507433825242E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  6.675435682022002E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.270150125958065E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.514856938149156E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  3.714854901267299E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  8.853585038873513E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  2.048450032212370E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.233463335389857E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  6.661821432450413E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  9.233731169234796E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.635057290795466E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  6.195362707430516E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  4.008969479590071E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  6.020008728629298E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.849168676754353E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.757702057382696E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  4.552026613033381E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  7.480568139789368E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  3.790919685991843E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  5.652734526296124E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  2.454744948880612E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  2.977976322030825E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  2.128023639494736E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.612831477637814E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  2.140999095514779E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.081546829366018E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  3.635572826526186E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  3.100204858966268E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.520361675006130E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.523702504055813E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  9.344263399930387E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.720057688495608E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  2.005024416490971E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  1.008742680690651E-004
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  2.057634124738472E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.337920939555547E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  8.733332423815821E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  7.454890525933603E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  5.742510989822497E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.323677776065684E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  2.022256965936736E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  4.101725226709262E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.246902525755335E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.655188748429356E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  4.017504266042538E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  6.138847389218429E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  4.021059395493125E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  5.312243502818252E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.848613668243827E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.241532786239986E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  7.533742862959123E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  7.501423102797940E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  3.147074794950991E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  6.650342260934930E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.210040628198560E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  3.292476350595345E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.790147522555739E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.894456189473092E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  2.168329115306092E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.050908926695084E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  3.983729573996587E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.528545702488967E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.958989371194976E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.579571125147143E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.307801123449439E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.287010338816491E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  3.519952547331926E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  3.399210197974958E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  4.751075865841159E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  2.054406537911758E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  8.579202210522642E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.143757025406146E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  1.803229677674526E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  8.898983902760570E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.144797143027468E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  2.077746454709811E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  1.075171098628675E-004
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  6.367191647759188E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.218159232498802E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.635034682829278E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  2.186534392318939E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  7.017896059948200E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.270293003290700E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.937204253767917E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  4.447682102356553E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.628030123648373E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  7.456076467712818E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  3.793080937087215E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.229833481299104E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  4.189351372665265E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.210435101691054E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.704205762187280E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  9.677475555386183E-006
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  2.144109008630425E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  7.951018714741015E-006
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.452249010544300E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.528545981593529E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.958993799406031E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.579570936602586E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.307793816833617E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.287011402700553E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  3.519951841046274E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  3.399211351489565E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  4.751074966053105E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  2.054407934595751E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  8.579218645363881E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.143757999732260E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  1.803229780186135E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  8.898956396581015E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.144797187179819E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  2.077734521608359E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  1.075171097094665E-004
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  6.367191519484987E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.218161165167627E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.635042868693610E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  2.186534307596509E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  7.017900386748742E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.270292785227305E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.937190901800660E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  4.447681968264522E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.628047946950324E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  7.456093717590824E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  3.793080804847351E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.229834493323548E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  4.189343143574780E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.210435104578335E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.704214565946713E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  9.677474627200239E-006
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  2.144118563817809E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  7.951020880824895E-006
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.452256604151487E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  8.032762322585608E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  2.949027574351163E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.302211578635152E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.519785984950713E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.419884944153299E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  9.277931320023760E-012
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.474069133743602E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.082125857424090E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  1.866747332796168E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.181570340743189E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.223657011490133E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.702688272964961E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  2.283842879294209E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.506399354998832E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.449140433433266E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.827913504097595E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  4.557815323038127E-006
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  3.666568785745288E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.433634983379937E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.336893616678081E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.067096738852373E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.431536032047076E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.324350043076401E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  3.481926886369740E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  3.389566269863658E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  3.757012611073675E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.210884365137303E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  8.079540439906056E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.550808092140687E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  2.020029480685700E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.599126174216333E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.275043818347914E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.144484603830762E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.404684824114833E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  8.895362910724960E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.118313457139577E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  1.817650611299409E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.385184774501537E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.297149952459808E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.263810855687408E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  2.267331699267833E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  7.472428544707357E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.419553436116542E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  1.607167695418847E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  7.142510919067217E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.300487809053350E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  9.443016538883181E-005
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  2.028379146350690E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  5.174552187276440E-006
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.225189673773992E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  1.174042849795578E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  2.080597872547996E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  7.106408196656247E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.672976184832420E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  2.721354351142751E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.831385434105073E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  1.030995621784171E-004
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.338267809473363E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.934332125115829E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  7.023240498300843E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.273724188423031E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.247653664998067E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.710040245406667E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.689485272746973E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  6.065506714217751E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  3.108708413048400E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.141693442007950E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.018757562843583E-005
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  2.068048286712706E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  7.961018273926416E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  5.780817493037533E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  1.022376732407074E-004
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  4.582047697799468E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.135477086687211E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  1.131540545319916E-005
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  1.786320943464038E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.297145131487777E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.263811115226408E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  2.267319895422071E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  7.472428899429613E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.419553432230557E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  1.607167823351191E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  7.142509220685100E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.300487674746808E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  9.443017906370997E-005
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  2.028432999163780E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  5.174406234979741E-006
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.225189891279776E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  1.174042877860745E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  2.080593299958717E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  7.106408408814484E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.673995170747993E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  2.721356405291364E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.831385637686988E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  1.030995426461418E-004
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.338267833967131E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.934333142740585E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  7.023240043567307E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.273723819271819E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.247653634807690E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.710040372039495E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.689292901292491E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  6.065507430393349E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  3.108707542936356E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.141942198939472E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.018757887219730E-005
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  2.068019348205266E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  7.960993902478045E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  5.780817365738283E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  1.022377337313009E-004
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  4.582047786671126E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.122423569486348E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  1.131540708165979E-005
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  1.786295550839413E-005
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.31823395 p = -3227.32192587
                                d =  -843.02627685 f =   -22.84736859
       valence  contribution :  s =    -0.07382275 p =    -0.02208363
                                d =    -0.22379473 f =    -0.00232659
                                ns      0.00282398
     single particle energies  spin  up    
         core   contribution :  s = -6845.03871984 p = -3229.05511325
                                d =  -844.46008512 f =   -23.85655360
       valence  contribution :  s =    -0.10183392 p =    -0.02944426
                                d =    -0.70783778 f =    -0.00306796
                                ns      0.00545990
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21881.08020481
                                   band energy per atom :   -1.1559277410

     coulomb  contribution :   0  13805.19488507  1      0.01152736
                               2      0.00082029  3     -0.00155983
                               4      0.00294485  5      0.00013598
                               6     -0.00002440
     --------------------------------------------------------------------
     tot. coulomb contribution :  13805.20872933

     ex.-cor. contribution :   0   -674.35012841  1      0.00865789
                               2      0.00213504  3     -0.00818696
                               4     -0.00820112  5      0.00232937
                               6      0.00005422
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.35333999

     eff. pot. contribution     : -26890.57167078
     total double counting contribution                 : -13759.71628144

   Total contribution of atom  1 =-35640.79648625
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07811731 p =    -0.09036034
                                d =    -0.03973991 f =    -0.01203872
                                ns      0.03673694
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09933466 p =    -0.11500349
                                d =    -0.05404650 f =    -0.01869224
                                ns      0.05041345
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42018278
                                   band energy per atom :   -0.4201827838

     coulomb  contribution :   0     -0.13471426  1      0.00168189
                               2      0.00650803  3      0.00182829
                               4     -0.00007199  5      0.00036904
                               6      0.00002323
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12437577

     ex.-cor. contribution :   0     -0.69354208  1     -0.00064249
                               2      0.05225602  3      0.00974830
                               4      0.01898972  5      0.00388995
                               6      0.00048330
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60881728

     eff. pot. contribution     :     -0.46288038
     total double counting contribution                 :     -1.19607343

   Total contribution of atom  2 =    -1.61625621
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07803596 p =    -0.09025586
                                d =    -0.03970350 f =    -0.01202544
                                ns      0.03665664
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09923508 p =    -0.11485795
                                d =    -0.05398422 f =    -0.01866867
                                ns      0.05029661
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41981343
                                   band energy per atom :   -0.4198134256

     coulomb  contribution :   0     -0.13497333  1      0.00169552
                               2      0.00651786  3      0.00182200
                               4     -0.00006320  5      0.00037078
                               6      0.00002330
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12460707

     ex.-cor. contribution :   0     -0.69286566  1     -0.00065731
                               2      0.05219527  3      0.00973150
                               4      0.01892916  5      0.00388289
                               6      0.00048098
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60830317

     eff. pot. contribution     :     -0.46254706
     total double counting contribution                 :     -1.19545729

   Total contribution of atom  3 =    -1.61527072
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07803596 p =    -0.09025586
                                d =    -0.03970350 f =    -0.01202544
                                ns      0.03665664
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09923508 p =    -0.11485796
                                d =    -0.05398422 f =    -0.01866867
                                ns      0.05029662
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41981343
                                   band energy per atom :   -0.4198134294

     coulomb  contribution :   0     -0.13497333  1      0.00169552
                               2      0.00651786  3      0.00182200
                               4     -0.00006320  5      0.00037078
                               6      0.00002330
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12460707

     ex.-cor. contribution :   0     -0.69286565  1     -0.00065731
                               2      0.05219528  3      0.00973149
                               4      0.01892922  5      0.00388289
                               6      0.00048098
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60830311

     eff. pot. contribution     :     -0.46254705
     total double counting contribution                 :     -1.19545723

   Total contribution of atom  4 =    -1.61527066
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04852609 p =    -0.05905510
                                d =    -0.02707435 f =    -0.00850084
                                ns      0.00812281
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06191599 p =    -0.07318189
                                d =    -0.03441347 f =    -0.01151553
                                ns      0.01015793
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30590251
                                   band energy per atom :   -0.3059025056

     coulomb  contribution :   0     -0.09125993  1     -0.00065348
                               2     -0.00037346  3     -0.00003162
                               4      0.00030072  5      0.00007231
                               6      0.00019840
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09174704

     ex.-cor. contribution :   0     -0.42602470  1     -0.00015817
                               2     -0.00033843  3     -0.00003569
                               4      0.01744911  5      0.00001407
                               6      0.00114172
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40795208

     eff. pot. contribution     :     -0.44384118
     total double counting contribution                 :     -0.94354031

   Total contribution of atom  5 =    -1.24944281
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04852294 p =    -0.05907064
                                d =    -0.02708338 f =    -0.00849998
                                ns      0.00812374
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06190342 p =    -0.07319363
                                d =    -0.03442428 f =    -0.01151556
                                ns      0.01015858
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30593150
                                   band energy per atom :   -0.3059315000

     coulomb  contribution :   0     -0.09113203  1     -0.00065135
                               2     -0.00037339  3     -0.00003079
                               4      0.00029586  5      0.00007236
                               6      0.00019755
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09162178

     ex.-cor. contribution :   0     -0.42596870  1     -0.00015972
                               2     -0.00033404  3     -0.00003612
                               4      0.01745166  5      0.00001434
                               6      0.00113748
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40789511

     eff. pot. contribution     :     -0.44380452
     total double counting contribution                 :     -0.94332141

   Total contribution of atom  6 =    -1.24925291
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04852295 p =    -0.05907064
                                d =    -0.02708338 f =    -0.00849998
                                ns      0.00812374
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06190342 p =    -0.07319363
                                d =    -0.03442428 f =    -0.01151556
                                ns      0.01015858
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30593150
                                   band energy per atom :   -0.3059315021

     coulomb  contribution :   0     -0.09113203  1     -0.00065135
                               2     -0.00037339  3     -0.00003079
                               4      0.00029586  5      0.00007236
                               6      0.00019755
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.09162179

     ex.-cor. contribution :   0     -0.42596870  1     -0.00015972
                               2     -0.00033405  3     -0.00003612
                               4      0.01745166  5      0.00001434
                               6      0.00113748
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40789511

     eff. pot. contribution     :     -0.44380451
     total double counting contribution                 :     -0.94332141

   Total contribution of atom  7 =    -1.24925291
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07167799 p =    -0.08383473
                                d =    -0.03451132 f =    -0.00904685
                                ns      0.01693861
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09070004 p =    -0.10618187
                                d =    -0.04651114 f =    -0.01347773
                                ns      0.02216192
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41684114
                                   band energy per atom :   -0.4168411397

     coulomb  contribution :   0     -0.12880778  1     -0.00107589
                               2     -0.00198069  3      0.00234198
                               4      0.00064906  5      0.00019956
                               6      0.00017529
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12849846

     ex.-cor. contribution :   0     -0.62075724  1      0.00237385
                               2      0.00366882  3      0.00055143
                               4      0.03013568  5      0.00094519
                               6      0.00053435
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58254792

     eff. pot. contribution     :     -0.44570313
     total double counting contribution                 :     -1.15674951

   Total contribution of atom  8 =    -1.57359065
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.53113919 p = -1089.69951786
                                d =  -190.67756975
       valence  contribution :  s =    -0.46018525 p =    -0.17008510
                                d =    -0.01468291 f =    -0.00437458
                                ns     -0.00278290
     single particle energies  spin  up    
         core   contribution :  s = -2636.10198586 p = -1090.98446209
                                d =  -192.10371840
       valence  contribution :  s =    -0.56189729 p =    -0.24155414
                                d =    -0.02031100 f =    -0.00598319
                                ns     -0.00329498
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.58354450
                                   band energy per atom :   -1.4851513505

     coulomb  contribution :   0   5104.41408523  1     -0.00016873
                               2      0.00047480  3      0.00146486
                               4     -0.00785256  5     -0.00000288
                               6      0.00008958
     --------------------------------------------------------------------
     tot. coulomb contribution :   5104.40809029

     ex.-cor. contribution :   0   -329.23750911  1     -0.00004024
                               2     -0.00032049  3      0.00352529
                               4     -0.01871327  5      0.00000931
                               6      0.00034785
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.25270066

     eff. pot. contribution     :  -9892.76044110
     total double counting contribution                 :  -5117.60505147

   Total contribution of atom  9 =-12954.18859597
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.53132605 p = -1089.69993046
                                d =  -190.67801054
       valence  contribution :  s =    -0.46013144 p =    -0.17001844
                                d =    -0.01468590 f =    -0.00437741
                                ns     -0.00278529
     single particle energies  spin  up    
         core   contribution :  s = -2636.10217245 p = -1090.98487406
                                d =  -192.10415810
       valence  contribution :  s =    -0.56184650 p =    -0.24145576
                                d =    -0.02031367 f =    -0.00598684
                                ns     -0.00329940
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.58537233
                                   band energy per atom :   -1.4849006573

     coulomb  contribution :   0   5104.39732914  1     -0.00016736
                               2      0.00047263  3      0.00146738
                               4     -0.00786374  5     -0.00000227
                               6      0.00008977
     --------------------------------------------------------------------
     tot. coulomb contribution :   5104.39132555

     ex.-cor. contribution :   0   -329.23702535  1     -0.00004111
                               2     -0.00032374  3      0.00352588
                               4     -0.01873801  5      0.00001008
                               6      0.00034829
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.25224396

     eff. pot. contribution     :  -9892.74132662
     total double counting contribution                 :  -5117.60224503

   Total contribution of atom 10 =-12954.18761736
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.53132604 p = -1089.69993047
                                d =  -190.67801055
       valence  contribution :  s =    -0.46013144 p =    -0.17001844
                                d =    -0.01468590 f =    -0.00437741
                                ns     -0.00278529
     single particle energies  spin  up    
         core   contribution :  s = -2636.10217248 p = -1090.98487407
                                d =  -192.10415811
       valence  contribution :  s =    -0.56184650 p =    -0.24145576
                                d =    -0.02031367 f =    -0.00598684
                                ns     -0.00329940
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.58537237
                                   band energy per atom :   -1.4849006602

     coulomb  contribution :   0   5104.39732934  1     -0.00016736
                               2      0.00047263  3      0.00146738
                               4     -0.00786374  5     -0.00000227
                               6      0.00008977
     --------------------------------------------------------------------
     tot. coulomb contribution :   5104.39132575

     ex.-cor. contribution :   0   -329.23702538  1     -0.00004111
                               2     -0.00032371  3      0.00352377
                               4     -0.01873553  5      0.00001008
                               6      0.00034829
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.25224360

     eff. pot. contribution     :  -9892.74132679
     total double counting contribution                 :  -5117.60224464

   Total contribution of atom 11 =-12954.18761701
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08740754 p =    -0.10784252
                                d =    -0.04969224 f =    -0.01485218
                                ns      0.05092174
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10654052 p =    -0.12836602
                                d =    -0.06029544 f =    -0.01912211
                                ns      0.06269513
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46050171
                                   band energy per atom :   -0.4605017051

     coulomb  contribution :   0     -0.18591553  1     -0.00126411
                               2      0.00058046  3      0.00195221
                               4      0.00246605  5      0.00064826
                               6      0.00003434
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.18149832

     ex.-cor. contribution :   0     -0.67202906  1     -0.00122486
                               2      0.05119182  3      0.00906959
                               4      0.01954219  5      0.00410164
                               6      0.00026797
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58908071

     eff. pot. contribution     :     -0.39809769
     total double counting contribution                 :     -1.16867672

   Total contribution of atom 12 =    -1.62917843
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72541971 p = -1151.13760644
                                d =  -209.60304001
       valence  contribution :  s =    -0.60913112 p =    -0.22833718
                                d =    -0.01380812 f =    -0.00364003
                                ns      0.00133344
     single particle energies  spin  up    
         core   contribution :  s = -2756.29708237 p = -1152.42472836
                                d =  -211.03287283
       valence  contribution :  s =    -0.71203090 p =    -0.33801562
                                d =    -0.01495853 f =    -0.00374177
                                ns      0.00123166
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.14184790
                                   band energy per atom :   -1.9210981703

     coulomb  contribution :   0   5305.17770638  1      0.00131624
                               2     -0.00096662  3     -0.00395940
                               4     -0.00540733  5      0.00059302
                               6     -0.00000205
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.16928023

     ex.-cor. contribution :   0   -339.83281802  1      0.01203556
                               2     -0.00320792  3     -0.01493614
                               4     -0.01429288  5      0.00225379
                               6     -0.00000539
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.85097100

     eff. pot. contribution     : -10307.58272504
     total double counting contribution                 :  -5342.26441581

   Total contribution of atom 13 =-13580.40626371
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72556662 p = -1151.13793784
                                d =  -209.60340899
       valence  contribution :  s =    -0.60913228 p =    -0.22836923
                                d =    -0.01380603 f =    -0.00363995
                                ns      0.00133128
     single particle energies  spin  up    
         core   contribution :  s = -2756.29722914 p = -1152.42505953
                                d =  -211.03324144
       valence  contribution :  s =    -0.71203184 p =    -0.33805196
                                d =    -0.01495635 f =    -0.00374151
                                ns      0.00122875
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.14361270
                                   band energy per atom :   -1.9211691449

     coulomb  contribution :   0   5305.18153158  1      0.00132671
                               2     -0.00097077  3     -0.00395700
                               4     -0.00541030  5      0.00059374
                               6     -0.00000204
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.17311193

     ex.-cor. contribution :   0   -339.83290611  1      0.01203447
                               2     -0.00321742  3     -0.01490404
                               4     -0.01428330  5      0.00225485
                               6     -0.00000527
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.85102682

     eff. pot. contribution     : -10307.58457148
     total double counting contribution                 :  -5342.26248637

   Total contribution of atom 14 =-13580.40609908
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72556657 p = -1151.13793784
                                d =  -209.60340898
       valence  contribution :  s =    -0.60913228 p =    -0.22836923
                                d =    -0.01380603 f =    -0.00363995
                                ns      0.00133128
     single particle energies  spin  up    
         core   contribution :  s = -2756.29722919 p = -1152.42505953
                                d =  -211.03324144
       valence  contribution :  s =    -0.71203184 p =    -0.33805196
                                d =    -0.01495635 f =    -0.00374151
                                ns      0.00122875
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.14361270
                                   band energy per atom :   -1.9211691450

     coulomb  contribution :   0   5305.18153168  1      0.00132671
                               2     -0.00097077  3     -0.00395700
                               4     -0.00541030  5      0.00059374
                               6     -0.00000204
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.17311203

     ex.-cor. contribution :   0   -339.83290617  1      0.01203447
                               2     -0.00321746  3     -0.01491325
                               4     -0.01427516  5      0.00225485
                               6     -0.00000527
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.85102800

     eff. pot. contribution     : -10307.58457158
     total double counting contribution                 :  -5342.26248755

   Total contribution of atom 15 =-13580.40610025
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72825248 p = -1151.14568093
                                d =  -209.61541250
       valence  contribution :  s =    -0.61278905 p =    -0.23215163
                                d =    -0.01358026 f =    -0.00353556
                                ns     -0.00001938
     single particle energies  spin  up    
         core   contribution :  s = -2756.29975775 p = -1152.43237494
                                d =  -211.04444123
       valence  contribution :  s =    -0.71491986 p =    -0.34202595
                                d =    -0.01509015 f =    -0.00384428
                                ns      0.00018680
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.20368915
                                   band energy per atom :   -1.9377693300

     coulomb  contribution :   0   5306.61307554  1      0.00178908
                               2     -0.00117932  3     -0.00389117
                               4     -0.00522804  5      0.00052237
                               6     -0.00001579
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.60507268

     ex.-cor. contribution :   0   -339.87164025  1      0.01197838
                               2     -0.00392044  3     -0.01369503
                               4     -0.01401700  5      0.00204569
                               6     -0.00003544
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88928409

     eff. pot. contribution     : -10308.96617053
     total double counting contribution                 :  -5342.25038194

   Total contribution of atom 16 =-13580.45407110
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72810288 p = -1151.14534017
                                d =  -209.61502709
       valence  contribution :  s =    -0.61273670 p =    -0.23215093
                                d =    -0.01357976 f =    -0.00353515
                                ns     -0.00002318
     single particle energies  spin  up    
         core   contribution :  s = -2756.29960782 p = -1152.43203332
                                d =  -211.04405426
       valence  contribution :  s =    -0.71485961 p =    -0.34201468
                                d =    -0.01509044 f =    -0.00384406
                                ns      0.00018183
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.20181821
                                   band energy per atom :   -1.9376526686

     coulomb  contribution :   0   5306.60233049  1      0.00177727
                               2     -0.00117863  3     -0.00389436
                               4     -0.00522833  5      0.00052183
                               6     -0.00001571
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.59431257

     ex.-cor. contribution :   0   -339.87141595  1      0.01197634
                               2     -0.00391000  3     -0.01370816
                               4     -0.01401676  5      0.00204604
                               6     -0.00003533
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88906382

     eff. pot. contribution     : -10308.95761737
     total double counting contribution                 :  -5342.25236862

   Total contribution of atom 17 =-13580.45418683
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72810285 p = -1151.14534017
                                d =  -209.61502709
       valence  contribution :  s =    -0.61273670 p =    -0.23215093
                                d =    -0.01357976 f =    -0.00353515
                                ns     -0.00002318
     single particle energies  spin  up    
         core   contribution :  s = -2756.29960786 p = -1152.43203333
                                d =  -211.04405426
       valence  contribution :  s =    -0.71485961 p =    -0.34201468
                                d =    -0.01509044 f =    -0.00384406
                                ns      0.00018183
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.20181822
                                   band energy per atom :   -1.9376526703

     coulomb  contribution :   0   5306.60233061  1      0.00177727
                               2     -0.00117863  3     -0.00389436
                               4     -0.00522833  5      0.00052183
                               6     -0.00001571
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.59431269

     ex.-cor. contribution :   0   -339.87141595  1      0.01197634
                               2     -0.00391000  3     -0.01370881
                               4     -0.01401709  5      0.00204604
                               6     -0.00003533
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88906480

     eff. pot. contribution     : -10308.95761748
     total double counting contribution                 :  -5342.25236959

   Total contribution of atom 18 =-13580.45418782
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72825249 p = -1151.14568093
                                d =  -209.61541249
       valence  contribution :  s =    -0.61278905 p =    -0.23215163
                                d =    -0.01358026 f =    -0.00353556
                                ns     -0.00001938
     single particle energies  spin  up    
         core   contribution :  s = -2756.29975774 p = -1152.43237493
                                d =  -211.04444123
       valence  contribution :  s =    -0.71491986 p =    -0.34202595
                                d =    -0.01509015 f =    -0.00384428
                                ns      0.00018680
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.20368915
                                   band energy per atom :   -1.9377693303

     coulomb  contribution :   0   5306.61307573  1      0.00178908
                               2     -0.00117932  3     -0.00389117
                               4     -0.00522804  5      0.00052237
                               6     -0.00001579
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.60507287

     ex.-cor. contribution :   0   -339.87164026  1      0.01197838
                               2     -0.00392039  3     -0.01369559
                               4     -0.01401755  5      0.00204569
                               6     -0.00003544
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88928516

     eff. pot. contribution     : -10308.96617074
     total double counting contribution                 :  -5342.25038303

   Total contribution of atom 19 =-13580.45407218
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72821202 p = -1151.14558986
                                d =  -209.61531170
       valence  contribution :  s =    -0.61277086 p =    -0.23222654
                                d =    -0.01357791 f =    -0.00353435
                                ns     -0.00001776
     single particle energies  spin  up    
         core   contribution :  s = -2756.29971740 p = -1152.43228415
                                d =  -211.04434098
       valence  contribution :  s =    -0.71489613 p =    -0.34210057
                                d =    -0.01508800 f =    -0.00384287
                                ns      0.00018692
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.20332418
                                   band energy per atom :   -1.9378680683

     coulomb  contribution :   0   5306.61315541  1      0.00176908
                               2     -0.00117009  3     -0.00388950
                               4     -0.00523098  5      0.00052197
                               6     -0.00001563
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.60514026

     ex.-cor. contribution :   0   -339.87172711  1      0.01197182
                               2     -0.00389827  3     -0.01368386
                               4     -0.01403730  5      0.00204640
                               6     -0.00003528
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88936360

     eff. pot. contribution     : -10308.96682383
     total double counting contribution                 :  -5342.25104717

   Total contribution of atom 20 =-13580.45437135
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72821200 p = -1151.14558987
                                d =  -209.61531170
       valence  contribution :  s =    -0.61277086 p =    -0.23222654
                                d =    -0.01357791 f =    -0.00353435
                                ns     -0.00001776
     single particle energies  spin  up    
         core   contribution :  s = -2756.29971741 p = -1152.43228416
                                d =  -211.04434098
       valence  contribution :  s =    -0.71489613 p =    -0.34210057
                                d =    -0.01508800 f =    -0.00384287
                                ns      0.00018692
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.20332419
                                   band energy per atom :   -1.9378680697

     coulomb  contribution :   0   5306.61315531  1      0.00176908
                               2     -0.00117009  3     -0.00388950
                               4     -0.00523098  5      0.00052197
                               6     -0.00001563
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.60514016

     ex.-cor. contribution :   0   -339.87172710  1      0.01197182
                               2     -0.00389829  3     -0.01368333
                               4     -0.01403599  5      0.00204640
                               6     -0.00003528
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88936177

     eff. pot. contribution     : -10308.96682370
     total double counting contribution                 :  -5342.25104530

   Total contribution of atom 21 =-13580.45436950
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68567033 p = -1151.04646532
                                d =  -209.49353295
       valence  contribution :  s =    -0.59588571 p =    -0.21316068
                                d =    -0.01185155 f =    -0.00319478
                                ns     -0.00927354
     single particle energies  spin  up    
         core   contribution :  s = -2756.25722031 p = -1152.33331873
                                d =  -210.92397104
       valence  contribution :  s =    -0.70204901 p =    -0.32779822
                                d =    -0.01335805 f =    -0.00352746
                                ns     -0.00993995
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.63021763
                                   band energy per atom :   -1.8900389533

     coulomb  contribution :   0   5318.46581112  1      0.00002853
                               2     -0.00305197  3     -0.00000474
                               4     -0.00636273  5      0.00000113
                               6      0.00000869
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.45643004

     ex.-cor. contribution :   0   -339.89712726  1     -0.00002242
                               2     -0.00980544  3     -0.00062692
                               4     -0.04208209  5     -0.00000025
                               6      0.00016154
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.94950284

     eff. pot. contribution     : -10321.48573362
     total double counting contribution                 :  -5342.97880642

   Total contribution of atom 22 =-13580.60902406
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68560580 p = -1151.04632163
                                d =  -209.49337670
       valence  contribution :  s =    -0.59587422 p =    -0.21315012
                                d =    -0.01185093 f =    -0.00319422
                                ns     -0.00927463
     single particle energies  spin  up    
         core   contribution :  s = -2756.25715561 p = -1152.33317431
                                d =  -210.92381342
       valence  contribution :  s =    -0.70203667 p =    -0.32777781
                                d =    -0.01335858 f =    -0.00352743
                                ns     -0.00994024
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.62943230
                                   band energy per atom :   -1.8899848375

     coulomb  contribution :   0   5318.46458255  1      0.00002851
                               2     -0.00305062  3     -0.00000476
                               4     -0.00636225  5      0.00000112
                               6      0.00000867
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.45520322

     ex.-cor. contribution :   0   -339.89710120  1     -0.00002244
                               2     -0.00980625  3     -0.00064214
                               4     -0.04201124  5     -0.00000025
                               6      0.00016162
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.94942190

     eff. pot. contribution     : -10321.48536554
     total double counting contribution                 :  -5342.97958422

   Total contribution of atom 23 =-13580.60901651
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.68560585 p = -1151.04632163
                                d =  -209.49337670
       valence  contribution :  s =    -0.59587422 p =    -0.21315012
                                d =    -0.01185093 f =    -0.00319422
                                ns     -0.00927463
     single particle energies  spin  up    
         core   contribution :  s = -2756.25715551 p = -1152.33317431
                                d =  -210.92381342
       valence  contribution :  s =    -0.70203667 p =    -0.32777781
                                d =    -0.01335858 f =    -0.00352743
                                ns     -0.00994024
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.62943227
                                   band energy per atom :   -1.8899848384

     coulomb  contribution :   0   5318.46458250  1      0.00002851
                               2     -0.00305062  3     -0.00000476
                               4     -0.00636225  5      0.00000112
                               6      0.00000867
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.45520318

     ex.-cor. contribution :   0   -339.89710120  1     -0.00002244
                               2     -0.00980599  3     -0.00063526
                               4     -0.04202087  5     -0.00000025
                               6      0.00016162
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.94942439

     eff. pot. contribution     : -10321.48536549
     total double counting contribution                 :  -5342.97958670

   Total contribution of atom 24 =-13580.60901897
                                   sum of band energies :  -31.7258236266
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.92861323
                                eV  : -3231118.01852588
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:24:24:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           15
25.03.2020 20:24:24:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   5.215423155873660E-010 -3.919131080868376E-006
  0.858527493377915     
 magnetic moment2 is   5.215426936791567E-010 -3.919131081741370E-006
 -0.104253004475053     
 magnetic moment is   4.177824709447608E-011 -3.694620529194280E-003
  4.679497870607807E-002
 magnetic moment2 is   4.177824709447608E-011 -3.694620529194280E-003
 -1.575025838012864E-002
 magnetic moment is  -3.196727725010560E-003  1.851313010368528E-003
  4.679331998815428E-002
 magnetic moment2 is  -3.196727725010560E-003  1.851313010368528E-003
 -1.577002374484041E-002
 magnetic moment is   3.196727761118561E-003  1.851312836517882E-003
  4.679331966696298E-002
 magnetic moment2 is   3.196727761118561E-003  1.851312836517882E-003
 -1.577002439080985E-002
 magnetic moment is  -3.040861887380203E-011  8.104812185272966E-004
  4.883051461339150E-002
 magnetic moment2 is  -3.040861887380203E-011  8.104812185272966E-004
 -2.136118078543366E-002
 magnetic moment is   7.127152373923251E-004 -4.150707583562319E-004
  4.877875131559822E-002
 magnetic moment2 is   7.127152373923251E-004 -4.150707583562319E-004
 -2.140152556464482E-002
 magnetic moment is  -7.127149713017838E-004 -4.150705437778426E-004
  4.877875201482590E-002
 magnetic moment2 is  -7.127149713017838E-004 -4.150705437778426E-004
 -2.140152514255225E-002
 magnetic moment is  -3.827818704059054E-011 -9.766807567389411E-007
  4.657252995525285E-002
 magnetic moment2 is  -3.827818704059054E-011 -9.766807567389411E-007
 -2.371375074214843E-002
 magnetic moment is  -1.148212709807528E-010 -2.781570360142232E-003
  0.155750270587576     
 magnetic moment2 is  -1.148388892660557E-010 -2.786908900244791E-003
 -0.122706650500704     
 magnetic moment is  -2.413712847332408E-003  1.388688023350720E-003
  0.155722878795584     
 magnetic moment2 is  -2.418337056494975E-003  1.391352300397344E-003
 -0.122737643519142     
 magnetic moment is   2.413713628644376E-003  1.388688276393112E-003
  0.155722878339861     
 magnetic moment2 is   2.418337838063890E-003  1.391352553278808E-003
 -0.122737644198079     
 magnetic moment is   7.420219183932672E-012  7.490178238559259E-007
  5.501797889305726E-002
 magnetic moment2 is   7.420219183932672E-012  7.490178238559259E-007
 -1.427245916034076E-002
 magnetic moment is   9.811587685978201E-011  1.011520693419941E-003
  0.282516835823266     
 magnetic moment2 is   9.811518123566815E-011  1.013359343844585E-003
  1.809731030755594E-002
 magnetic moment is   8.772467561660069E-004 -5.080632952620467E-004
  0.282475742637900     
 magnetic moment2 is   8.788495588796598E-004 -5.089920332009490E-004
  1.806147388900610E-002
 magnetic moment is  -8.772466397745319E-004 -5.080632925600062E-004
  0.282475741699139     
 magnetic moment2 is  -8.788494428203710E-004 -5.089920304629531E-004
  1.806147298567796E-002
 magnetic moment is   6.620649655657198E-005  1.342309401208077E-003
  0.253538154689584     
 magnetic moment2 is   6.611859699969945E-005  1.342444468802288E-003
 -8.361914137260826E-003
 magnetic moment is   1.199174809147839E-003 -6.094001082526812E-004
  0.253472735145697     
 magnetic moment2 is   1.199246944851424E-003 -6.095416096154181E-004
 -8.429041792622161E-003
 magnetic moment is  -1.199174700398109E-003 -6.094000173388908E-004
  0.253472735581922     
 magnetic moment2 is  -1.199246836127764E-003 -6.095415186905084E-004
 -8.429041369136359E-003
 magnetic moment is  -6.620606587735963E-005  1.342309524276225E-003
  0.253538152150234     
 magnetic moment2 is  -6.611816635794824E-005  1.342444591876580E-003
 -8.361916495100291E-003
 magnetic moment is   1.125931213928486E-003 -7.277588017159818E-004
  0.253529788441457     
 magnetic moment2 is   1.126089195316296E-003 -7.277539667308829E-004
 -8.371730486814138E-003
 magnetic moment is  -1.125930877489497E-003 -7.277590332684675E-004
  0.253529791502030     
 magnetic moment2 is  -1.126088858892268E-003 -7.277541982844363E-004
 -8.371727622717220E-003
 magnetic moment is  -1.514452969260882E-010 -2.945291401902533E-004
  0.260656204214759     
 magnetic moment2 is  -1.514935947616813E-010 -2.948366205915325E-004
 -2.003286565599047E-002
 magnetic moment is  -2.514631139532091E-004  1.492672150882360E-004
  0.260655820937408     
 magnetic moment2 is  -2.514641583860346E-004  1.492678761795324E-004
 -2.003192446487018E-002
 magnetic moment is   2.514630860526775E-004  1.492673212227177E-004
  0.260655824120156     
 magnetic moment2 is   2.514641304837861E-004  1.492679823142550E-004
 -2.003192145997024E-002
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.34998734  0.38319264    0.0332
          p =  0.09731462  0.11586273    0.0185
          d =  3.29083712  4.09399578    0.8032
          f =  0.00919804  0.00991239    0.0007
          ns  -0.02083175 -0.01793066    0.0029
          ------------------------------------
          TOT  3.72650538  4.58503288    0.8585
                           8.31153826
   ========================== 
      2   s =  0.24170773  0.25993980    0.0182
          p =  0.31138193  0.33196595    0.0206
          d =  0.16349206  0.17747999    0.0140
          f =  0.05911880  0.06887874    0.0098
          ns  -0.11505139 -0.13082037   -0.0158
          ------------------------------------
          TOT  0.66064913  0.70744410    0.0468
                           1.36809323
   ========================== 
      3   s =  0.24158726  0.25985229    0.0183
          p =  0.31108373  0.33167639    0.0206
          d =  0.16332969  0.17727534    0.0139
          f =  0.05906403  0.06879921    0.0097
          ns  -0.11480709 -0.13055230   -0.0157
          ------------------------------------
          TOT  0.66025762  0.70705094    0.0468
                           1.36730855
   ========================== 
      4   s =  0.24158726  0.25985229    0.0183
          p =  0.31108373  0.33167639    0.0206
          d =  0.16332969  0.17727534    0.0139
          f =  0.05906403  0.06879921    0.0097
          ns  -0.11480709 -0.13055230   -0.0157
          ------------------------------------
          TOT  0.66025762  0.70705094    0.0468
                           1.36730855
   ========================== 
      5   s =  0.15934518  0.17833165    0.0190
          p =  0.21005050  0.22781174    0.0178
          d =  0.10801496  0.11826502    0.0103
          f =  0.03662955  0.04180386    0.0052
          ns  -0.02395886 -0.02730042   -0.0033
          ------------------------------------
          TOT  0.49008133  0.53891185    0.0488
                           1.02899318
   ========================== 
      6   s =  0.15926982  0.17823689    0.0190
          p =  0.21003622  0.22776994    0.0177
          d =  0.10805359  0.11829435    0.0102
          f =  0.03664017  0.04181583    0.0052
          ns  -0.02395781 -0.02729627   -0.0033
          ------------------------------------
          TOT  0.49004199  0.53882075    0.0488
                           1.02886274
   ========================== 
      7   s =  0.15926982  0.17823689    0.0190
          p =  0.21003623  0.22776994    0.0177
          d =  0.10805359  0.11829435    0.0102
          f =  0.03664017  0.04181583    0.0052
          ns  -0.02395781 -0.02729627   -0.0033
          ------------------------------------
          TOT  0.49004200  0.53882075    0.0488
                           1.02886274
   ========================== 
      8   s =  0.21236501  0.23033062    0.0180
          p =  0.28573280  0.30409855    0.0184
          d =  0.14420768  0.15629855    0.0121
          f =  0.04053179  0.04777078    0.0072
          ns  -0.04267036 -0.05175903   -0.0091
          ------------------------------------
          TOT  0.64016693  0.68673946    0.0466
                           1.32690639
   ========================== 
      9   s =  0.80550764  0.85335447    0.0478
          p =  0.80516603  0.90589841    0.1007
          d =  0.08725656  0.09210401    0.0048
          f =  0.02069030  0.02239392    0.0017
          ns   0.01047467  0.01109466    0.0006
          ------------------------------------
          TOT  1.72909520  1.88484547    0.1558
                           3.61394068
   ========================== 
     10   s =  0.80554430  0.85337008    0.0478
          p =  0.80484580  0.90556473    0.1007
          d =  0.08725800  0.09211088    0.0049
          f =  0.02070097  0.02240508    0.0017
          ns   0.01049488  0.01111607    0.0006
          ------------------------------------
          TOT  1.72884395  1.88456683    0.1557
                           3.61341078
   ========================== 
     11   s =  0.80554431  0.85337008    0.0478
          p =  0.80484580  0.90556473    0.1007
          d =  0.08725800  0.09211088    0.0049
          f =  0.02070097  0.02240508    0.0017
          ns   0.01049488  0.01111607    0.0006
          ------------------------------------
          TOT  1.72884395  1.88456683    0.1557
                           3.61341078
   ========================== 
     12   s =  0.23319951  0.25610979    0.0229
          p =  0.31080395  0.33499022    0.0242
          d =  0.15976093  0.17570466    0.0159
          f =  0.05127662  0.05948487    0.0082
          ns  -0.11340312 -0.12963367   -0.0162
          ------------------------------------
          TOT  0.64163789  0.69665587    0.0550
                           1.33829375
   ========================== 
     13   s =  0.84521246  0.86510365    0.0199
          p =  1.24383618  1.50673449    0.2629
          d =  0.05048091  0.05154726    0.0011
          f =  0.01193081  0.01210852    0.0002
          ns   0.00261778  0.00110106   -0.0015
          ------------------------------------
          TOT  2.15407814  2.43659498    0.2825
                           4.59067312
   ========================== 
     14   s =  0.84519144  0.86509195    0.0199
          p =  1.24390847  1.50675708    0.2628
          d =  0.05048277  0.05154935    0.0011
          f =  0.01193145  0.01210831    0.0002
          ns   0.00262959  0.00111278   -0.0015
          ------------------------------------
          TOT  2.15414372  2.43661947    0.2825
                           4.59076319
   ========================== 
     15   s =  0.84519144  0.86509195    0.0199
          p =  1.24390847  1.50675708    0.2628
          d =  0.05048277  0.05154935    0.0011
          f =  0.01193145  0.01210831    0.0002
          ns   0.00262959  0.00111278   -0.0015
          ------------------------------------
          TOT  2.15414372  2.43661947    0.2825
                           4.59076319
   ========================== 
     16   s =  0.84687436  0.86603528    0.0192
          p =  1.27325693  1.50694600    0.2337
          d =  0.05047813  0.05202859    0.0016
          f =  0.01183941  0.01227470    0.0004
          ns   0.00424383  0.00294625   -0.0013
          ------------------------------------
          TOT  2.18669266  2.44023082    0.2535
                           4.62692348
   ========================== 
     17   s =  0.84684050  0.86600336    0.0192
          p =  1.27323295  1.50685037    0.2336
          d =  0.05048431  0.05203567    0.0016
          f =  0.01183694  0.01227294    0.0004
          ns   0.00425531  0.00296041   -0.0013
          ------------------------------------
          TOT  2.18665001  2.44012275    0.2535
                           4.62677276
   ========================== 
     18   s =  0.84684050  0.86600336    0.0192
          p =  1.27323295  1.50685037    0.2336
          d =  0.05048431  0.05203567    0.0016
          f =  0.01183694  0.01227294    0.0004
          ns   0.00425531  0.00296041   -0.0013
          ------------------------------------
          TOT  2.18665001  2.44012275    0.2535
                           4.62677276
   ========================== 
     19   s =  0.84687436  0.86603528    0.0192
          p =  1.27325693  1.50694600    0.2337
          d =  0.05047813  0.05202859    0.0016
          f =  0.01183941  0.01227470    0.0004
          ns   0.00424383  0.00294625   -0.0013
          ------------------------------------
          TOT  2.18669266  2.44023082    0.2535
                           4.62692348
   ========================== 
     20   s =  0.84683156  0.86600246    0.0192
          p =  1.27336114  1.50702678    0.2337
          d =  0.05048643  0.05204096    0.0016
          f =  0.01183832  0.01227261    0.0004
          ns   0.00424658  0.00295102   -0.0013
          ------------------------------------
          TOT  2.18676403  2.44029382    0.2535
                           4.62705785
   ========================== 
     21   s =  0.84683156  0.86600246    0.0192
          p =  1.27336114  1.50702678    0.2337
          d =  0.05048643  0.05204096    0.0016
          f =  0.01183832  0.01227261    0.0004
          ns   0.00424658  0.00295102   -0.0013
          ------------------------------------
          TOT  2.18676403  2.44029382    0.2535
                           4.62705785
   ========================== 
     22   s =  0.83778298  0.85980128    0.0220
          p =  1.30441947  1.54226646    0.2378
          d =  0.04811585  0.05086510    0.0027
          f =  0.01218817  0.01249210    0.0003
          ns   0.02415645  0.02189419   -0.0023
          ------------------------------------
          TOT  2.22666293  2.48731914    0.2607
                           4.71398207
   ========================== 
     23   s =  0.83778489  0.85980454    0.0220
          p =  1.30440351  1.54224708    0.2378
          d =  0.04811687  0.05086638    0.0027
          f =  0.01218734  0.01249414    0.0003
          ns   0.02415842  0.02189471   -0.0023
          ------------------------------------
          TOT  2.22665103  2.48730685    0.2607
                           4.71395788
   ========================== 
     24   s =  0.83778489  0.85980454    0.0220
          p =  1.30440351  1.54224708    0.2378
          d =  0.04811687  0.05086638    0.0027
          f =  0.01218734  0.01249414    0.0003
          ns   0.02415842  0.02189471   -0.0023
          ------------------------------------
          TOT  2.22665103  2.48730685    0.2607
                           4.71395788
 
############################################
 
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.311536
       spin moment in wigner seitz cell =    0.858527
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -0.688464
                              spin magnetic moment =     0.858527
 
  Atom    2 charge in wigner seitz cell =    1.368091
       spin moment in wigner seitz cell =    0.046795
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.368091
                              spin magnetic moment =     0.046795
 
  Atom    3 charge in wigner seitz cell =    1.367306
       spin moment in wigner seitz cell =    0.046793
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.367306
                              spin magnetic moment =     0.046793
 
  Atom    4 charge in wigner seitz cell =    1.367306
       spin moment in wigner seitz cell =    0.046793
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.367306
                              spin magnetic moment =     0.046793
 
  Atom    5 charge in wigner seitz cell =    1.028992
       spin moment in wigner seitz cell =    0.048830
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.028992
                              spin magnetic moment =     0.048830
 
  Atom    6 charge in wigner seitz cell =    1.028862
       spin moment in wigner seitz cell =    0.048779
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.028862
                              spin magnetic moment =     0.048779
 
  Atom    7 charge in wigner seitz cell =    1.028862
       spin moment in wigner seitz cell =    0.048779
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.028862
                              spin magnetic moment =     0.048779
 
  Atom    8 charge in wigner seitz cell =    1.326903
       spin moment in wigner seitz cell =    0.046572
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.326903
                              spin magnetic moment =     0.046572
 
  Atom    9 charge in wigner seitz cell =   49.613938
       spin moment in wigner seitz cell =    0.155750
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.386062
                              spin magnetic moment =     0.155750
 
  Atom   10 charge in wigner seitz cell =   49.613408
       spin moment in wigner seitz cell =    0.155723
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.386592
                              spin magnetic moment =     0.155723
 
  Atom   11 charge in wigner seitz cell =   49.613408
       spin moment in wigner seitz cell =    0.155723
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.386592
                              spin magnetic moment =     0.155723
 
  Atom   12 charge in wigner seitz cell =    1.338291
       spin moment in wigner seitz cell =    0.055018
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =     1.338291
                              spin magnetic moment =     0.055018
 
  Atom   13 charge in wigner seitz cell =   50.590671
       spin moment in wigner seitz cell =    0.282517
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.409329
                              spin magnetic moment =     0.282517
 
  Atom   14 charge in wigner seitz cell =   50.590761
       spin moment in wigner seitz cell =    0.282476
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.409239
                              spin magnetic moment =     0.282476
 
  Atom   15 charge in wigner seitz cell =   50.590761
       spin moment in wigner seitz cell =    0.282476
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.409239
                              spin magnetic moment =     0.282476
 
  Atom   16 charge in wigner seitz cell =   50.626921
       spin moment in wigner seitz cell =    0.253538
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.373079
                              spin magnetic moment =     0.253538
 
  Atom   17 charge in wigner seitz cell =   50.626770
       spin moment in wigner seitz cell =    0.253473
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.373230
                              spin magnetic moment =     0.253473
 
  Atom   18 charge in wigner seitz cell =   50.626770
       spin moment in wigner seitz cell =    0.253473
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.373230
                              spin magnetic moment =     0.253473
 
  Atom   19 charge in wigner seitz cell =   50.626921
       spin moment in wigner seitz cell =    0.253538
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.373079
                              spin magnetic moment =     0.253538
 
  Atom   20 charge in wigner seitz cell =   50.627055
       spin moment in wigner seitz cell =    0.253530
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.372945
                              spin magnetic moment =     0.253530
 
  Atom   21 charge in wigner seitz cell =   50.627055
       spin moment in wigner seitz cell =    0.253530
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.372945
                              spin magnetic moment =     0.253530
 
  Atom   22 charge in wigner seitz cell =   50.713980
       spin moment in wigner seitz cell =    0.260656
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.286020
                              spin magnetic moment =     0.260656
 
  Atom   23 charge in wigner seitz cell =   50.713956
       spin moment in wigner seitz cell =    0.260656
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.286044
                              spin magnetic moment =     0.260656
 
  Atom   24 charge in wigner seitz cell =   50.713956
       spin moment in wigner seitz cell =    0.260656
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  15 charge neutrality in unit cell =    -1.286044
                              spin magnetic moment =     0.260656
 
                    TOTAL mag. moment in unit cell =     4.864600
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:27:57:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:57:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.2475D-01  ,  v+ - v- =  2.9868D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.6074D-01  ,  v+ - v- =  3.2105D-03
      rms-error for atom  2 :v+ + v- =  2.5194D-02  ,  v+ - v- =  3.5805D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  2.0544D-02  ,  v+ - v- =  1.1349D-03
      rms-error for atom  3 :v+ + v- =  2.5426D-02  ,  v+ - v- =  3.5803D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  2.1124D-02  ,  v+ - v- =  1.1374D-03
      rms-error for atom  4 :v+ + v- =  2.5426D-02  ,  v+ - v- =  3.5803D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  2.1124D-02  ,  v+ - v- =  1.1374D-03
      rms-error for atom  5 :v+ + v- =  4.4724D-02  ,  v+ - v- =  4.2193D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.6883D-02  ,  v+ - v- =  6.7008D-04
      rms-error for atom  6 :v+ + v- =  4.4592D-02  ,  v+ - v- =  4.2195D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.7302D-02  ,  v+ - v- =  6.7289D-04
      rms-error for atom  7 :v+ + v- =  4.4592D-02  ,  v+ - v- =  4.2195D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.7302D-02  ,  v+ - v- =  6.7289D-04
      rms-error for atom  8 :v+ + v- =  2.5051D-02  ,  v+ - v- =  3.9183D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.6230D-02  ,  v+ - v- =  9.2201D-04
      rms-error for atom  9 :v+ + v- =  3.4285D-02  ,  v+ - v- =  4.1994D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.4812D-02  ,  v+ - v- =  7.0016D-04
      rms-error for atom 10 :v+ + v- =  3.4391D-02  ,  v+ - v- =  4.1995D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.4986D-02  ,  v+ - v- =  7.0028D-04
      rms-error for atom 11 :v+ + v- =  3.4391D-02  ,  v+ - v- =  4.1995D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.4986D-02  ,  v+ - v- =  7.0028D-04
      rms-error for atom 12 :v+ + v- =  5.3012D-02  ,  v+ - v- =  3.5431D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.8665D-02  ,  v+ - v- =  9.2884D-04
      rms-error for atom 13 :v+ + v- =  4.5786D-02  ,  v+ - v- =  3.4309D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  1.8790D-02  ,  v+ - v- =  7.3833D-04
      rms-error for atom 14 :v+ + v- =  4.5838D-02  ,  v+ - v- =  3.4310D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  1.8832D-02  ,  v+ - v- =  7.4088D-04
      rms-error for atom 15 :v+ + v- =  4.5838D-02  ,  v+ - v- =  3.4310D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  1.8832D-02  ,  v+ - v- =  7.4088D-04
      rms-error for atom 16 :v+ + v- =  2.9049D-02  ,  v+ - v- =  3.4595D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  1.2074D-02  ,  v+ - v- =  9.0526D-04
      rms-error for atom 17 :v+ + v- =  2.8993D-02  ,  v+ - v- =  3.4596D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  1.2041D-02  ,  v+ - v- =  8.8435D-04
      rms-error for atom 18 :v+ + v- =  2.8993D-02  ,  v+ - v- =  3.4596D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  1.2041D-02  ,  v+ - v- =  8.8435D-04
      rms-error for atom 19 :v+ + v- =  2.9049D-02  ,  v+ - v- =  3.4595D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  1.2074D-02  ,  v+ - v- =  9.0526D-04
      rms-error for atom 20 :v+ + v- =  2.9035D-02  ,  v+ - v- =  3.4595D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  1.2061D-02  ,  v+ - v- =  9.2115D-04
      rms-error for atom 21 :v+ + v- =  2.9035D-02  ,  v+ - v- =  3.4595D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  1.2061D-02  ,  v+ - v- =  9.2115D-04
      rms-error for atom 22 :v+ + v- =  2.6547D-02  ,  v+ - v- =  3.7807D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  1.0527D-02  ,  v+ - v- =  5.5612D-04
      rms-error for atom 23 :v+ + v- =  2.6522D-02  ,  v+ - v- =  3.7806D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  1.0540D-02  ,  v+ - v- =  5.5804D-04
      rms-error for atom 24 :v+ + v- =  2.6522D-02  ,  v+ - v- =  3.7806D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  1.0540D-02  ,  v+ - v- =  5.5804D-04
      ITERATION  15 average rms-error : v+ + v- =  5.6086D-02
                                        v+ - v- =  3.7186D-02
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.274721341486894E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.905193617093071E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.106914571252325E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.306054050452475E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.281095083256194E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.610041908206163E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.271996939676620E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.808247803861031E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.398234565138095E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.109215971435044E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.467312669034846E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.631824704866566E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.867974665397123E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.925492321288700E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.837880565080698E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  5.066796758223402E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.291425696253390E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  3.972144519854578E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.281051065403968E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.402627158021285E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.316149689165621E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.067226961057731E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  8.031323908548990E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  8.839102816438000E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.979485675854883E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.333055864473165E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.240308445637066E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.124559542297579E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.665992680572893E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.732534817759587E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.123941980758971E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.297819721113668E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  7.893161659403824E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.496422554434061E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.863017189672360E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  5.158864169107679E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.183623541704406E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.463403562516168E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  3.960084285455170E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.707288920123845E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  7.129313887644190E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.816679901533896E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.438003406383453E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.552465452678757E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.218588549756039E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.916032711087341E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.874591880596448E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.549866739542461E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.723801335070107E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  4.421706709440971E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.076660549890660E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.544707822221770E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.437439975187605E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.135506159521222E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  7.244371272913582E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  9.141103491019336E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.090762995550200E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.047644678621571E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  4.176712139167261E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.679232687667156E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.226949709085488E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  4.970432338575388E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.351717908173968E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  3.711590381520842E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  6.441137215777756E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  1.015747326857852E-006
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  6.412935058319620E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  2.211723210467543E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  3.838491079842422E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  4.982383512703233E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  4.469698833720570E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  8.288256211071762E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  3.627669497724615E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  3.627673781524259E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  4.079585578153193E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  2.077610646864793E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  4.954944933000426E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  3.847103708247808E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  6.273966074387719E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  4.970431962182980E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.351315549672032E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  3.711590249078526E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  6.441138276329124E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  1.015129281271131E-006
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  6.412934714691032E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  2.211723099029178E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  3.838491011966290E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  4.982383251155759E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.470513673688956E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  8.287278465703690E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  3.627669449449975E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  3.627674139322985E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  4.079585355789272E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  2.077610529444917E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  4.954767269340132E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  3.847103429615514E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  6.273967217877319E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  6.105454148340129E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.644667983679575E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.202969379236114E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  8.189603935382473E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  2.421464625037813E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  9.285385705462341E-004
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  8.707138561539521E-012
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  4.727475760773228E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.343286052213077E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.652131512288142E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  6.555083071195122E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.440597824067341E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  4.019055019124674E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.238946121504038E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  5.966803698249814E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.227312154753005E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  6.339085363045951E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.421554889719012E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  2.002012071900335E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  1.000841027644026E-011
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.178939534666984E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  8.248274926594592E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.351325781817168E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.298431779384351E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.545044718614416E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  2.717666183807046E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.407484912611144E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  6.475654668126121E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.882442362970570E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  6.364765401810086E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.551537085804012E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  8.190020039641071E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.452926752425185E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  9.304378919153786E-004
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  6.916330513658484E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.211703986275814E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  5.153948169019650E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  3.468870298071758E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  3.274270599569904E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  5.662631927460987E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  2.013647713619803E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.459438769167147E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  2.977270599379414E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  2.552949559589429E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  6.346579543123760E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  2.003972027530210E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  2.051703441329392E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.360894195617310E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.468504884316989E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  4.090239907922576E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  5.512578616290555E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  5.591378657066318E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.356869577001741E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.363702978858742E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  3.236102027194199E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.464704606385870E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  3.182818314322430E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  7.081820570446872E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  8.190019727284507E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.452926536534224E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  9.304378526699772E-004
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  6.916330333356864E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.211680608761782E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  5.153949738197738E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  3.468871399887082E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  3.274270493360787E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  5.662633712865506E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  2.013647660007302E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.460146381280977E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  2.977270531973293E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  2.552949406304709E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  6.346579378490731E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  2.003971902381519E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  2.051703271037666E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.360887508196952E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.469825676684754E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  4.090239808443852E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  5.512581086574284E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  5.591379347102637E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.356869513914322E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.363704549618695E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  3.236101919426236E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.464674537525492E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  3.182818207296137E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  7.081823288121408E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.067397205542183E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.850824276986992E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.561544023419574E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.158752894788873E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.585392930507650E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.642288136766537E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.009948957548931E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.619074322406889E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.104847854656987E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.246201091323485E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.129696797458612E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.535067114689176E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.633445451708577E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.270186574235291E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.922153251946838E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.753455480240627E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.712086289963905E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.787069863511699E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.868529118855045E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.186726697859870E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.441005584100325E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.359471412228230E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.162131087257794E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.098393102781157E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.278027149810194E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.495355034666643E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.243715076796300E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.164902085937915E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.070874318553624E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.012118812727732E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.942588605090581E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.192445493691408E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.063966278386628E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.543666168435343E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.445196422139516E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.370542392019258E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.260221335002540E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  3.792712806441109E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  6.784738658393580E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.796422527594730E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  5.429726560309294E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  4.303643904854904E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.093394193615349E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.127435191598948E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.793359445446223E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.755796643821447E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  4.116910511187741E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  8.180726673517428E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  4.856631473871710E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  9.212728905547006E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  4.010813900820871E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  3.556796018448271E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  5.449607448694423E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  4.446791697933734E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.327987339939800E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  3.521514136446501E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.527449175507655E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.146776518405530E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.227531493397512E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  2.395698689751022E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.316565847121779E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.189624310485799E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  6.290638665586038E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.531739440646322E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  4.801055279120692E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.926330249710684E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  3.018817038534918E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  6.248756479762527E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  2.170321444887858E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  3.711249661035775E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.142143378783651E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  3.472791411909430E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  4.186343029487958E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  2.053880395951859E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  3.566162777305124E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  2.423165580892779E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.680790363624281E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  1.992298478672532E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.752191759552403E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  3.063363488843942E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  4.517364179486657E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.748256083701024E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.604429652776211E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  4.113056902891018E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  3.086683588491298E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.623983574118962E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.208232315268629E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  2.622798503140393E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  4.149404458272254E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  3.144229515864927E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  5.450349392640525E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  2.405115508301627E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.721252624357357E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.505767241327789E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  2.071413364347095E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  2.170321208522340E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  3.711249589300093E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.142238004883099E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  3.472791905406829E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  4.186343956273217E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  2.053880294487067E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  3.566163740477649E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  2.423165397231290E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.680967543649145E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  1.992298297752256E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.752191686316687E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  3.063363766252877E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  4.517363974332352E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.748256100132766E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.604460761813006E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  4.113056689141969E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  3.086683913903826E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.625175873135249E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.208232390158049E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  2.622799641862300E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  4.149403808724703E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  3.144229401665517E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  5.450349494530970E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  2.405115416101279E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.721970837933728E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.505767143392645E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  2.071411932917346E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  5.436775723706527E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.777856292827548E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.677964513025893E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  4.188908110407511E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.928007558014925E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  9.086893874614937E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.326402594220728E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  8.419268122804272E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.896546625340301E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.710579899726797E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.358989410169461E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.959900844898817E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.032141072788778E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.610635033499499E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.903413460159329E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.043289703725027E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.178749115333749E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  6.378579212878410E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  9.897815463079698E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.033488578143514E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.857880580618788E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.552662602530209E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.470697668469438E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.221662030276595E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.261096855204737E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.721571953353003E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.355000046107604E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.288611598044183E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  5.882067327599629E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.307906647468926E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.305947383758365E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.229112756847577E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.882065165362323E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.551670924370558E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.023883291340599E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.075802141773352E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.417454078408450E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.619669597620862E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.478186396514467E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.319897544233676E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.987304093793789E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  1.004338717405606E-010
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.704257655410029E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.610632239181682E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.373204967746151E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.124916285803180E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  4.149722342839209E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.728395260273525E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.858484389221660E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.509177027230783E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  4.446556164360131E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.192172631234899E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.118654418945802E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.269135180232731E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.144000831171798E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  3.155862230546881E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.067854425386285E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.522739899885726E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.919710285804450E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.041202911988218E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  8.953276803953531E-005
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.245041744604072E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.240836449134389E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  9.604152633788537E-005
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.545300449303905E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.576889120447517E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.889737847377909E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  9.034143955713341E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  2.608308162083082E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.508884048357225E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.657905209234277E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.815987910785600E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.308056858349871E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  2.086492640696571E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  3.604973011940666E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.754248407366191E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.473705706895740E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  7.492196642630848E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  2.210635901971628E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.326258380794838E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  2.751046352645547E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  6.411564619249644E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.099357334972803E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.584838572905801E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.542083772588781E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  7.646518052264384E-005
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  3.873619188566346E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.787446926228136E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  4.492542838031364E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.372289768001651E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  4.828411052580592E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  8.346207237943405E-005
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  7.889443681532882E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.038644368647679E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  1.003807243569120E-004
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  7.816710587150241E-005
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  2.608305173601955E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.508883988979958E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.657905151293646E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.815660644436997E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.308059193491421E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  2.086492519207760E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  3.604976062353173E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.754248316600456E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.473583379665990E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  7.492196449519916E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  2.210635957114546E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.326258848779868E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  2.751047786301079E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  6.411564064658041E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.099358612559812E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.584838507582209E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.543213288412232E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  7.646517615727646E-005
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  3.873625895256993E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.786073301570130E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  4.492542698763470E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.372290003419329E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  4.828410793668860E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  8.346210638272231E-005
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  7.889443334678076E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.037627449559592E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  1.003807173232864E-004
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  7.816708622849079E-005
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  1.001045629116010E-004
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.492669268464256E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  2.369211440325666E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  2.727099953028445E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  2.795427363710272E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  1.067340004489025E-004
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  1.068897102076120E-004
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.917936289265116E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  3.523491839404912E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  6.280794348132833E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  6.208406299425884E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  3.696688868318903E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.571902429467944E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.540847198205138E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  1.037582495079544E-004
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  9.767167211986068E-005
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.497508267149366E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.963450721158191E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  3.427404386889234E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.723545757163593E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  7.298902649921583E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.632873041814760E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.770724435938366E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  3.937750983168347E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  7.294672308086019E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  3.383276942462485E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.507746112635129E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  4.766953377084882E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.360729656301225E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.369488899175046E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.965735508727657E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  2.044756968191872E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  3.730912186869261E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  6.047815753613125E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  2.945068879419210E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.324394912387694E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.168182087540033E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.857495369780109E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  2.322657482489936E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.870381608946388E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  7.133683149477460E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.914026773021961E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  9.927335208238092E-005
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  9.403495549618273E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  2.534097200131478E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  6.817240191591899E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  4.260860367850239E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.574278409668687E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.032170829300898E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.635539019540193E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  3.841050587580498E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  5.852080303865597E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.018319498241518E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  4.840276684153042E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  4.825707766430488E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.641137470540375E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  3.647140555737113E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  1.067481666993486E-004
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  7.267030634322547E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  4.507505244586414E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  3.890967706821217E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  2.662005690159105E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.257423783066987E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.922335710641649E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  4.559603203044145E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  2.010833074745123E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.305144776374784E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  5.582190280108784E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  2.945063866315955E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.324394845970289E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.168174791691371E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.857503574958383E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  2.322657241169384E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.870382586616412E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  7.133683222477879E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.914025014353294E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  9.927306464894498E-005
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  9.403504934866001E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  2.534096968139391E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  6.817207448714975E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  4.260859582707624E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.574290893887126E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.032169908573390E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.635538863327174E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  3.841063775603516E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  5.852058945552357E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.018318952488351E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  4.840264942886063E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  4.825707373219909E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.641151217386372E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  3.647139787595833E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  1.067479563969640E-004
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  7.267011698074769E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  4.507504544615474E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  3.890972653737704E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  2.661998264785438E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.257423580225469E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.922329042367730E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  4.559602713320508E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  2.010822686810971E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.305144034242673E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  5.582174127885426E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  1.001045650175260E-004
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.492662362576664E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  2.369211301592729E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  2.727092153974871E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  2.795427383689522E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  1.067338821625619E-004
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  1.068897157813705E-004
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.917937608412144E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  3.523479467338987E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  6.280804569477273E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  6.208405890532610E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  3.696657061458586E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.571903055994072E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.540835464258121E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  1.037582312223579E-004
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  9.767165789689112E-005
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.497522975641848E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.963455348192303E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  3.427404384783299E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.723533704890277E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  7.298901955271328E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.632859163203323E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.770725047114417E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  3.937735529982820E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  7.294689113654980E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  3.383276683707847E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.507751304191164E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  4.766946455231312E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.360729340408943E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.369495493013104E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.965735440337341E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  2.044766794871485E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  3.730912646554096E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  6.047799740429553E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.158183659715723E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.526974603704031E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.437031791353014E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  1.070723904005801E-004
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  1.007463212606858E-004
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.784832883469806E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  2.994148180695752E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.843022479469733E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.922194585262524E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.393281733414009E-005
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  6.039619578894409E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  5.650101226796432E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  4.139552993124280E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  9.203815908795235E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.576221944722708E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  6.594271835430281E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  7.834095061352263E-005
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  2.514009714219944E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  6.765293408132070E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  4.850932844284536E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.635064749268224E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  2.921755811455346E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.724479555095694E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  4.934934833077582E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  6.432086283214207E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  7.271980362464405E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  6.369596689223855E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.419850486807094E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.334153861321291E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.804058252004923E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  3.015289637319370E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  4.138837205041600E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  2.029202962979131E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  4.054959211202949E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.824623551996452E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.158184122793857E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.526970623493520E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.437031711945395E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  1.070725732885043E-004
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  1.007464064035531E-004
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.784833259303047E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  2.994149130227913E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.843022766882799E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.922196050576571E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.393257068047530E-005
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  6.039623524134871E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  5.650101161316991E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  4.139532458841274E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  9.203816467149380E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.576210122489927E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  6.594271048546887E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  7.834094988014146E-005
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  2.514001002901705E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  6.765275022504346E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  4.850933311141452E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.635059395483806E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  2.921755643695974E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.724466071095747E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  4.934935400742174E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  6.432066458736650E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  7.271997948430700E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  6.369596896495986E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.419849763623424E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.334158180042924E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.804058236799189E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  3.015281580651345E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  4.138837301076731E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  2.029212888943784E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  4.054959395721414E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.824629494179630E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  7.845256609211052E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.302717602929479E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.774598906029993E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  2.122170670177252E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  1.069831109098584E-004
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  1.047761117897415E-011
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.431064459284821E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  7.327790369697996E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  1.874215164306033E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  4.054870527833182E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.201179547852707E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.536154040868342E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  2.130549465093759E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.396469582542842E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  9.388438651512643E-005
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.296162125235298E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  3.168455999320802E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  2.862013254854118E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.127270072343021E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  4.334469117757387E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.244022944906994E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.683376469558084E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.703296679287433E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  2.833048072268814E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  8.107874294069385E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.666014838014178E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  1.838288624403872E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  9.284892601229434E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.686348062816009E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  5.419702670027086E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.558417458513787E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.253976288296859E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  9.496439712011520E-005
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.408495420239686E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  7.917423709129125E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.220606947343006E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  2.835984124302137E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.413053950196857E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  1.802817209446257E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  1.090758344428766E-004
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.964773619998400E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  1.047311571823848E-004
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  1.078306380086244E-004
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.622339309826277E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.190120717959729E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  2.127334868114870E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  9.478015040901900E-005
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.808880894284810E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.906884655303449E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  7.832799260475994E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.090028460718549E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.932693028349921E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  4.566660814186481E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.477554138770164E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.645264227055549E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.449543173725871E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  1.676358226724352E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  4.365652219820756E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  7.118126094614255E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  8.272803981744838E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.699223419444800E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.465288676717765E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.093217564885171E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.357488348902371E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  9.173930714564324E-006
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.520832375213909E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.949013221010859E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  2.725395321919079E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.913466424094109E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  7.084659421627375E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  4.802862367805672E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  8.526111640497219E-005
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  4.078949454707556E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.410925331208417E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.620148934280944E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  4.727364565228753E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  1.802810834152733E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  1.090758125817089E-004
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.964762093769602E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  1.047311625492746E-004
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  1.078306434126770E-004
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.622339555514715E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.190120610888224E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  2.127334706821389E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  9.478016215371000E-005
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.808931716529767E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.906862857228440E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  7.832800276746497E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.090028398283897E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.932688266520982E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  4.566661088463268E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.478684205417152E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.645263904579524E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.449543153416860E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  1.676358791829723E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  4.365652890947966E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  7.118128914067568E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  8.272803758587869E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.699223189810378E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.465288656469768E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.093217178074355E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.357453683470871E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  9.173926633186625E-006
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.520833234300074E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.949273382438500E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  2.725395417017249E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.913435873008688E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  7.084634416883994E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  4.802861971664402E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  8.526110597365412E-005
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  4.078949186747383E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.396575727508922E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.620148626587512E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  4.727336522686171E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.080950546090560E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.974935662810313E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  2.190279510175535E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.754182586556303E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.452970868936526E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.620394241957703E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.991335069876723E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.880524712407042E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.147317093441039E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.918583657683240E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.694617194710976E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.598386382105699E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.421019405434125E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.542165880519310E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.865334688632865E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.630882679148297E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.304197524645660E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.248004729294714E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.143695780083797E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.394358716128943E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.215922951987860E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.079669342444139E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  7.940815872950879E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  8.492320216857591E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.516114058294181E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.265337051023172E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.064978212817873E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.097131979821413E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  5.617347307656406E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.166772655983115E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.632142296699643E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.732875616358375E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.271589756895468E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.489875161012572E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.849962480569246E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.553908227935983E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  8.261278435088887E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.517578443930680E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.322575699094632E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.093198880737125E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.785995373008935E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.914207378739668E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.698812508447367E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.708021567499200E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.225398672273031E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  1.998806727130146E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.071294071041248E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  9.869478337004007E-011
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.787169929155039E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  5.002041187889990E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.100757119546545E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.372575291532459E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.120584906326490E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.122465200538908E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  7.675560776828631E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.453290767720097E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.086965256249295E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.116101760209550E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  4.507304256111378E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.743731042982270E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.298209538319863E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  4.420429241241658E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.777777939469903E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  3.875261110808744E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  6.729803868157170E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.144818508684373E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  7.035522117143595E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  2.491100396643538E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  4.323889404784677E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  4.798028836845758E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.808521222277859E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  6.096350723771668E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  3.844535843068439E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  3.914192046478571E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  4.147578069114678E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  2.242021692264745E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.442682263791406E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  4.001199094082820E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  6.650173389355366E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  4.420428988430991E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.777339136660215E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  3.875261015782935E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  6.729804980582923E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  3.139458934331368E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  7.035521896454622E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  2.491100327810407E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  4.323889223607069E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  4.798028625510532E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.808863257831755E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  6.095397909957931E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  3.844535821024435E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  3.914192543830511E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  4.147577885429951E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  2.242021584900840E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.442376837365342E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  4.001198852780293E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  6.650174649960502E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  8.050233673170645E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  3.111857487369279E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.730944141369185E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  8.162486829212886E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  2.636354295137355E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  9.522103742945561E-004
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.152023718133863E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  5.694359912929255E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.377980760518049E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  1.003334958254836E-010
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  7.061140984977958E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.479147307591402E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  4.614647477462686E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.325838987873708E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  6.227206138110270E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.203393265324770E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  6.267979603753920E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.825593563823918E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  2.358215363115873E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.158915049701633E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.214667193329416E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.094800692907206E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.250049024708402E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.393429800387837E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.212284831376013E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  2.806173975099874E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.507832164715625E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  6.983616820191984E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.918492557940866E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  6.828339496933068E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.702662365614952E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  8.160127424516984E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.241239857627562E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  9.538720566529531E-004
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  6.960198597845843E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.349668517258157E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  5.380809671845547E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  3.986175668159088E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  3.523614245799481E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  6.098899009650452E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  2.314952586396031E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  4.035779812043487E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  3.104817302451341E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  2.360492651318951E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  6.275717033111482E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  2.361319697311952E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  2.130175447725343E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.545904493410300E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.382136800254569E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  4.322364564709560E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  5.913892838971127E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  6.029898210560395E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.400866149363000E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  2.440129949999243E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  3.485919999066860E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.691423832730504E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  3.411531982710783E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  7.490531149000889E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  8.160127211097934E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.241239545966925E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  9.538720390066081E-004
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  6.960198468765799E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.349649766439548E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  5.380811573317335E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  3.986176928394123E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  3.523614091869757E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  6.098900869908747E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  2.314952529649127E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  4.036504120610613E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  3.104817203645275E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  2.360492542351754E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  6.275716907781051E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  2.361319554353311E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  2.130175319899968E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.545896387670123E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.383498766380439E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  4.322364422417649E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  5.913895489946546E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  6.029899075380460E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.400866075657359E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  2.440131539347965E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  3.485919865820163E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.691309945471617E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  3.411531845040730E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  7.490534076155210E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.297907765018094E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.006108675442726E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.747947760699753E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  8.073869435607518E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.108178365347247E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.070269722020692E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.022142818547907E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.264593237314951E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.233445530599887E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.804441199675999E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.188191561771033E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.613500773107650E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.826562016284045E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.612356565489796E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.986859730212415E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.138507058067613E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.800144875550223E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.124302679603620E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.133467860245865E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.677553109622418E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.735651399883956E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.555686922991563E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.258762400010091E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.347663372814201E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.330970888303950E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.930879143698740E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.853386261404324E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.169908944774755E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  9.370015780509717E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.076659978272410E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.407499749380077E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  6.985958991388766E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.496889856748383E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.736276644210822E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.460231787100436E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.724780252988710E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.349108838721100E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.567810636178186E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  6.971123415956765E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.366577340909400E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  6.598925407069776E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  5.229179527955915E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.806643740972548E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  1.954715376773955E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.484995920661429E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  8.072350765717106E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  4.307361991799251E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.558588302495046E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  4.446083583052620E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  9.932193647735967E-011
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  3.651139259046868E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  3.438696314981980E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  5.140616475058209E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  5.650779192094533E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  6.127952206322953E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  3.083578378018692E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.886931519183613E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.095768390072973E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.547634227695237E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  2.206635326258381E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.878121711399592E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.672201833584406E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  6.614966239218511E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.676361002261794E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  5.064511633345538E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.813229191598006E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  3.076148749531420E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  6.043110377256799E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  2.635567629931112E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  4.506787168791827E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.766720066056530E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  3.162172204446232E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  3.830093490320425E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  2.148433181769618E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  3.730211229289748E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  2.217502628058305E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.112675711062018E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  1.811718750813207E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.691649976376358E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.684663414617191E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  4.779325013462742E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.528543349156166E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.768736106330463E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  3.829389261957879E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  2.984822249899643E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.159734033882090E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.113138933246471E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  2.672985215475783E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  4.375953415939958E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  3.305980097393874E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  5.730213351490425E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  2.537054952582695E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.189900402715541E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.534245361148610E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  1.907107014153469E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  2.635567335880601E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  4.506787360561852E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.766808574216413E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  3.162172788397625E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  3.830094422624954E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  2.148433093546947E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  3.730212342900096E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  2.217502527185865E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.112846648070079E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  1.811718633817910E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.691649905855850E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.684663673694702E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  4.779324829021664E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.528543354904721E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.768765143711525E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  3.829389108685867E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  2.984822520850889E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.160956083236319E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.113138976263134E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  2.672986326953500E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  4.375952802606478E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  3.305979995754710E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  5.730213501037165E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  2.537054885758780E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.190632993471263E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.534245278571929E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  1.907105709124514E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  4.685463400341052E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.550623682563299E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.908824594482405E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.375669888824999E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.042026284005220E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  1.160265467158030E-006
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  8.049847667713463E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  7.782700640537259E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.144450002720731E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.850389002504521E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.576619137813876E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.059421248914098E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.026628271445500E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  8.250734772729273E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.913795970089645E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  9.390378508823210E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.209423064152068E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  7.381197448836451E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  9.082433328565184E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.972527301091876E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.385553667213121E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.135207253480681E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.867440330007439E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.814760631889042E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.370346284593496E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.641186251361510E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.421379319037137E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287022735685715E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  6.129627014768500E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.744878917047124E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.539503918567262E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.344889138565451E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.405331876012969E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.550400116646507E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.020881803474439E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.139723743938341E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.639319095259834E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.644982782842872E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.471415427024702E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.950617742446401E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  3.226398627543759E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  8.953492865842997E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.294080996528099E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.726546121093168E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.347581069703775E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.074758726818616E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  3.913349871658083E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.657106923282871E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.246648787905746E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.184658603742922E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  1.016009742047025E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.211989876054770E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.123972767847381E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.073296855106894E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  8.024712466883355E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  3.577952456881219E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  7.009732594858358E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.761141668784261E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.016103023318846E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.001588356653242E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  1.015615783790388E-004
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.550745711080477E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.095087120148528E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  1.029765430691908E-004
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.465145347508773E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.689680485711968E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.676736506266559E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.782935695690232E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  2.816343945745830E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.624392508652514E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.967731194276769E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.532380512066030E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.893569281636739E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.970836859693954E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  3.401254789890478E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.474938821470390E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.395392073919206E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.087292227904706E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.985097166032875E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.531699921576678E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  3.117960305431577E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  5.433780521543509E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  9.296433541009587E-005
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.794934442781769E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.404825724528071E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  8.804584544908684E-005
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.803642366293099E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.601515712628362E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  5.083646906079890E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.470304252587838E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  5.162554419399975E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  8.943760595530716E-005
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  8.443011411153960E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.805761053326609E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  7.588344054770660E-005
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  8.861374718048023E-005
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  2.816341248442325E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.624392444822995E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.967731066222286E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.532283211178749E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.893571758406138E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.970836739840381E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  3.401257744537931E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.474938736664793E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.395285963249841E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.087292186385952E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.985097120023723E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.531701703813450E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  3.117961900539360E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  5.433780107564349E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  9.296447850948158E-005
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.794934352824606E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.405939301366925E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  8.804584159666509E-005
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.803660295326213E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.600208316246172E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  5.083646683074568E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.470304427455020E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  5.162554131603492E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  8.943769371283561E-005
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  8.443011053974003E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.804817818644800E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  7.588343560291010E-005
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  8.861372257324515E-005
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  3.107330881091579E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.574972886803527E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.607683304623736E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  8.562492743329863E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.515385868915911E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  1.806880060105004E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  9.779411132318536E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.796407098292069E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.230482631814275E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  8.197076240302983E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  6.861254630849120E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  6.113935780075391E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.301470546337392E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.740782009658022E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  4.119560790132104E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.427398500595244E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.716807479551176E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  3.642830464855102E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  5.732401642977612E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  3.796762501441100E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  5.274602334499309E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.853748388174145E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.202036082482941E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  6.684295422750018E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  6.730561383550092E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  2.994223555810537E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  6.724510986938510E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.417934810719366E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  3.306321680605525E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.603299775351027E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.825428020349313E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.902499717567212E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  1.014399146409147E-004
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  3.107538635159375E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.373177317601230E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.592694111795389E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  8.830686182521535E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.222563564061431E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  2.839405531785763E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.231955758924359E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.178139923686873E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.794208307410486E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  5.661524287665223E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.245439638128396E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.505556631579021E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  3.114225567842324E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  8.376716647302277E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.766865243273287E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.170016809789660E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  6.286656367125442E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  8.822461332771677E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.774451661021895E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  5.946922840576646E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  3.502662634736702E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  5.676534770848598E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.853883969538185E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.670367637284362E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  3.638086018632275E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  6.709691626852650E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  3.297849960845863E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  5.306041314926084E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  2.246719595917634E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  2.807533631667113E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  2.226456788866162E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.788682951664444E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.875121115647179E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.069848352963152E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  2.984981675605151E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.373173592793972E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.592694105287373E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  8.830625084550080E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.222568868970259E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  2.839405279693250E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.231957016631994E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.178139924429625E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.794206576097429E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  5.661505836573206E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.245440876543829E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.505557079158687E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  3.114202078164888E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  8.376716735025633E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.766877517618156E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.170016853073485E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  6.286655954866648E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  8.822484084686562E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.774463881124225E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  5.946922703426169E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  3.502661252719411E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  5.676534873688209E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.853897582951137E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.670368066633741E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  3.638071607102402E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  6.709672893895578E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  3.297849515686539E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  5.306051764526138E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  2.246712187087089E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  2.807533516055487E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  2.226468992609097E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.788683281453924E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.875111077736231E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.069848416036650E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  2.984970986314472E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  3.107330853529190E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.574980363840978E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.607683620413194E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  8.562480667546858E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.515385833467899E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  1.806878848147695E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  9.779412044394963E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.796408210043268E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.230480704811219E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  8.197079629154314E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  6.861253885652101E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  6.113966050991255E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.301470628475658E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.740770112178949E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  4.119561399205989E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.427399471022493E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.716796429047080E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  3.642824373645583E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  5.732401648997317E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  3.796754043496358E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  5.274603007674733E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.853734680351797E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.202036182261262E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  6.684277279931999E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  6.730577388116536E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  2.994223693676670E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  6.724500672516984E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.417942980417524E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  3.306322250143392E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.603296698816198E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.825428297568668E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.902509134200697E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  1.014399218678133E-004
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  3.107523966611600E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.455834106802837E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.912903298104698E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.619800561951269E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.343072838281295E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.225281496253271E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  2.799057781410769E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  3.122299748793720E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  4.240662121444452E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.793228239096226E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  8.488364541841822E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.114323962739829E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  2.475390165418507E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  8.537317331665038E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.107999683489520E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.797580428871536E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  9.518913637293058E-005
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  5.322765311966807E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.190795142772713E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.421806873283347E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.657388319772390E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  6.694700824227777E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.154755987264359E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.944114255227102E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  4.138026962785655E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.812374320444601E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  6.685974651351429E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  2.849538667562462E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.201726048396854E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  4.259879275560780E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.270400953731614E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.613149243078743E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  8.374301675523659E-006
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.878821706437305E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  9.264882244666001E-006
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.326845651440152E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.455834468541922E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.912907788258055E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.619800406667418E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.343065552845332E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.225282540467133E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  2.799056992419951E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  3.122300899496998E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  4.240661185249701E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.793229642628942E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  8.488381520360508E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.114324964038919E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  2.475390314072561E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  8.537289691116003E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.107999734012978E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.797568636600527E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  9.518913509146689E-005
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  5.322765188556091E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.190797068969207E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.421815996626140E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.657388274966602E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  6.694705744693097E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.154755785827927E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.944100789959485E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  4.138026967606171E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.812392421697497E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  6.685991894097252E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  2.849538568188771E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.201727064505516E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  4.259871008881506E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.270400984866912E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.613158421135378E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  8.374301336634463E-006
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.878831340846804E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  9.264884236861281E-006
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.326852835992201E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  8.497574623167958E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  3.000115825568044E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.227718256571794E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.384021746229844E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.308980761506776E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.028780915843851E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.300718903914839E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.192866869205116E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  1.628821784176490E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.181101592008027E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.217900488779327E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.647075973357929E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  2.068746722567559E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.494966297582517E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.360835062846324E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.830341721179760E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  7.504160643657057E-006
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  3.294353028614700E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.524128713764860E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.241188585471225E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.090040855312711E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.305621865167800E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  5.059177955975094E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  3.767968708359965E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  3.055164912186777E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  3.341893112738147E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  1.089320994837370E-004
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  8.358465468003247E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.555266251294416E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  1.471766092540154E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.589861961688830E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.271741387500218E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.060892722255618E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.404290798337326E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  8.255470775990931E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.120142567687700E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  1.374942497607006E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.391822568257821E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.179820717185019E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.119385166002727E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  2.015092875571219E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  6.796608027559129E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.308361778054271E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  1.401489425841329E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  6.280321615903926E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.150278179532156E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  8.247534981779321E-005
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.971070254471059E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  3.338826976610280E-006
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.148864462883402E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  1.065790422845150E-004
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.892576285778011E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  6.663737788338343E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.653064040179032E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  2.082791284369890E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.645027146669917E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  9.263895368791975E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.242308140796185E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.653846556306465E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  6.393902845918748E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  5.009068223924137E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.138459060868398E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.544821550706905E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.615192003901475E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  5.457216686611357E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  2.787263477049759E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.089922695001280E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  7.374221856635789E-006
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.647563443674717E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  7.400742170666832E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  5.358495081336683E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  9.489926283823756E-005
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  4.258566886999415E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.101338523217301E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  8.918987826875022E-006
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  1.297261113313704E-005
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.179815994388241E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.119385396457891E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  2.015081235987692E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  6.796608570038802E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.308361779820561E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  1.401489553753213E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  6.280319914230631E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.150278057573799E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  8.247536412443445E-005
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.971121394069965E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  3.338860247891884E-006
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.148864678889649E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  1.065790449734504E-004
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.892571749383088E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  6.663738041708894E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.654081874352651E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  2.082791620720047E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.645027387566836E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  9.263893395376273E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.242308168780903E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.653847822965411E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  6.393902406992516E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  5.009067878120808E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.138459036263637E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.544821663608096E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.615009488402425E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  5.457217513523059E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  2.787262571345802E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.090107164216432E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  7.374225318599147E-006
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.647535473747492E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  7.400717903803602E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  5.358494942179709E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  9.489933034169501E-005
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  4.258566959132319E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.088340155552136E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  8.918988961575864E-006
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  1.297236423457734E-005
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.31382289 p = -3227.30952411
                                d =  -843.01757367 f =   -22.83780688
       valence  contribution :  s =    -0.07329688 p =    -0.02209395
                                d =    -0.21774732 f =    -0.00234306
                                ns      0.00272443
     single particle energies  spin  up    
         core   contribution :  s = -6845.00712108 p = -3228.97881244
                                d =  -844.39586107 f =   -23.80893046
       valence  contribution :  s =    -0.10021071 p =    -0.02913142
                                d =    -0.68391946 f =    -0.00305735
                                ns      0.00523957
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21880.79328876
                                   band energy per atom :   -1.1238361560

     coulomb  contribution :   0  13798.55238652  1      0.01160142
                               2      0.00080030  3     -0.00160624
                               4      0.00303709  5      0.00015931
                               6     -0.00002361
     --------------------------------------------------------------------
     tot. coulomb contribution :  13798.56635479

     ex.-cor. contribution :   0   -674.23541801  1      0.00864823
                               2      0.00203388  3     -0.00828851
                               4     -0.00829076  5      0.00231683
                               6      0.00005377
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.23894457

     eff. pot. contribution     : -26884.28058698
     total double counting contribution                 : -13759.95317676

   Total contribution of atom  1 =-35640.74646552
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07842188 p =    -0.09071876
                                d =    -0.03993697 f =    -0.01209603
                                ns      0.03684273
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09893097 p =    -0.11454167
                                d =    -0.05376692 f =    -0.01851999
                                ns      0.05003677
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.42005367
                                   band energy per atom :   -0.4200536722

     coulomb  contribution :   0     -0.12911866  1      0.00137828
                               2      0.00537134  3      0.00172559
                               4     -0.00017846  5      0.00034011
                               6      0.00002308
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12045872

     ex.-cor. contribution :   0     -0.69348390  1     -0.00063231
                               2      0.05218191  3      0.00968991
                               4      0.01892551  5      0.00387298
                               6      0.00048073
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60896517

     eff. pot. contribution     :     -0.46207919
     total double counting contribution                 :     -1.19150309

   Total contribution of atom  2 =    -1.61155676
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07834182 p =    -0.09061558
                                d =    -0.03990089 f =    -0.01208289
                                ns      0.03676315
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09883264 p =    -0.11439745
                                d =    -0.05370521 f =    -0.01849669
                                ns      0.04992077
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41968924
                                   band energy per atom :   -0.4196892398

     coulomb  contribution :   0     -0.12937135  1      0.00139019
                               2      0.00538094  3      0.00171963
                               4     -0.00016975  5      0.00034184
                               6      0.00002313
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12068537

     ex.-cor. contribution :   0     -0.69281548  1     -0.00064683
                               2      0.05212255  3      0.00967446
                               4      0.01886505  5      0.00386595
                               6      0.00047844
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60845587

     eff. pot. contribution     :     -0.46173867
     total double counting contribution                 :     -1.19087991

   Total contribution of atom  3 =    -1.61056915
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07834182 p =    -0.09061558
                                d =    -0.03990089 f =    -0.01208289
                                ns      0.03676315
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09883264 p =    -0.11439745
                                d =    -0.05370521 f =    -0.01849669
                                ns      0.04992077
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41968924
                                   band energy per atom :   -0.4196892438

     coulomb  contribution :   0     -0.12937135  1      0.00139019
                               2      0.00538094  3      0.00171963
                               4     -0.00016975  5      0.00034184
                               6      0.00002313
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12068537

     ex.-cor. contribution :   0     -0.69281548  1     -0.00064683
                               2      0.05212254  3      0.00967446
                               4      0.01886512  5      0.00386595
                               6      0.00047844
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60845581

     eff. pot. contribution     :     -0.46173867
     total double counting contribution                 :     -1.19087985

   Total contribution of atom  4 =    -1.61056909
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04887239 p =    -0.05941807
                                d =    -0.02724111 f =    -0.00855535
                                ns      0.00816822
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06184418 p =    -0.07311673
                                d =    -0.03436167 f =    -0.01147769
                                ns      0.01013889
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30658007
                                   band energy per atom :   -0.3065800679

     coulomb  contribution :   0     -0.08702581  1     -0.00056811
                               2     -0.00036018  3     -0.00003027
                               4      0.00009614  5      0.00006133
                               6      0.00018775
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08763915

     ex.-cor. contribution :   0     -0.42706561  1     -0.00015914
                               2     -0.00033868  3     -0.00003770
                               4      0.01747295  5      0.00001433
                               6      0.00114477
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40896907

     eff. pot. contribution     :     -0.44354729
     total double counting contribution                 :     -0.94015551

   Total contribution of atom  5 =    -1.24673558
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04886856 p =    -0.05943301
                                d =    -0.02724993 f =    -0.00855443
                                ns      0.00816909
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06183084 p =    -0.07312758
                                d =    -0.03437210 f =    -0.01147764
                                ns      0.01013947
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30660553
                                   band energy per atom :   -0.3066055265

     coulomb  contribution :   0     -0.08690434  1     -0.00056577
                               2     -0.00036011  3     -0.00002948
                               4      0.00009164  5      0.00006133
                               6      0.00018694
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08751980

     ex.-cor. contribution :   0     -0.42700506  1     -0.00016069
                               2     -0.00033443  3     -0.00003811
                               4      0.01747552  5      0.00001460
                               6      0.00114054
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40890762

     eff. pot. contribution     :     -0.44351108
     total double counting contribution                 :     -0.93993850

   Total contribution of atom  6 =    -1.24654403
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04886856 p =    -0.05943301
                                d =    -0.02724993 f =    -0.00855443
                                ns      0.00816909
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06183084 p =    -0.07312758
                                d =    -0.03437210 f =    -0.01147764
                                ns      0.01013947
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30660553
                                   band energy per atom :   -0.3066055288

     coulomb  contribution :   0     -0.08690434  1     -0.00056577
                               2     -0.00036011  3     -0.00002948
                               4      0.00009164  5      0.00006133
                               6      0.00018694
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08751980

     ex.-cor. contribution :   0     -0.42700506  1     -0.00016069
                               2     -0.00033444  3     -0.00003811
                               4      0.01747556  5      0.00001460
                               6      0.00114054
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40890760

     eff. pot. contribution     :     -0.44351108
     total double counting contribution                 :     -0.93993848

   Total contribution of atom  7 =    -1.24654401
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07213267 p =    -0.08436402
                                d =    -0.03477998 f =    -0.00913343
                                ns      0.01710621
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09052898 p =    -0.10599215
                                d =    -0.04639548 f =    -0.01342520
                                ns      0.02215823
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41748746
                                   band energy per atom :   -0.4174874556

     coulomb  contribution :   0     -0.12253506  1     -0.00093759
                               2     -0.00184756  3      0.00218825
                               4      0.00035993  5      0.00018271
                               6      0.00016814
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.12242118

     ex.-cor. contribution :   0     -0.62209179  1      0.00239841
                               2      0.00369557  3      0.00053077
                               4      0.03020240  5      0.00095306
                               6      0.00053534
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58377624

     eff. pot. contribution     :     -0.44549712
     total double counting contribution                 :     -1.15169454

   Total contribution of atom  8 =    -1.56918199
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.54831060 p = -1089.73800597
                                d =  -190.71979182
       valence  contribution :  s =    -0.46292010 p =    -0.17186849
                                d =    -0.01477536 f =    -0.00439391
                                ns     -0.00280674
     single particle energies  spin  up    
         core   contribution :  s = -2636.09649584 p = -1090.97200853
                                d =  -192.08976421
       valence  contribution :  s =    -0.56094292 p =    -0.24101191
                                d =    -0.02023476 f =    -0.00595381
                                ns     -0.00330205
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.65258702
                                   band energy per atom :   -1.4882100449

     coulomb  contribution :   0   5104.76252073  1     -0.00017312
                               2      0.00046133  3      0.00137412
                               4     -0.00767960  5     -0.00000297
                               6      0.00008572
     --------------------------------------------------------------------
     tot. coulomb contribution :   5104.75658621

     ex.-cor. contribution :   0   -329.24620341  1     -0.00004143
                               2     -0.00032994  3      0.00351798
                               4     -0.01872465  5      0.00000750
                               6      0.00034770
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.26142626

     eff. pot. contribution     :  -9893.04421578
     total double counting contribution                 :  -5117.54905582

   Total contribution of atom  9 =-12954.20164284
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.54851450 p = -1089.73845650
                                d =  -190.72027379
       valence  contribution :  s =    -0.46286931 p =    -0.17180309
                                d =    -0.01477841 f =    -0.00439675
                                ns     -0.00280916
     single particle energies  spin  up    
         core   contribution :  s = -2636.09669944 p = -1090.97245837
                                d =  -192.09024496
       valence  contribution :  s =    -0.56089565 p =    -0.24091766
                                d =    -0.02023754 f =    -0.00595742
                                ns     -0.00330640
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.65461896
                                   band energy per atom :   -1.4879714023

     coulomb  contribution :   0   5104.74652960  1     -0.00017091
                               2      0.00045925  3      0.00137647
                               4     -0.00769054  5     -0.00000239
                               6      0.00008591
     --------------------------------------------------------------------
     tot. coulomb contribution :   5104.74058738

     ex.-cor. contribution :   0   -329.24573941  1     -0.00004227
                               2     -0.00033307  3      0.00351901
                               4     -0.01874980  5      0.00000826
                               6      0.00034814
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.26098914

     eff. pot. contribution     :  -9893.02566353
     total double counting contribution                 :  -5117.54606528

   Total contribution of atom 10 =-12954.20068424
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.54851449 p = -1089.73845650
                                d =  -190.72027379
       valence  contribution :  s =    -0.46286931 p =    -0.17180309
                                d =    -0.01477841 f =    -0.00439675
                                ns     -0.00280916
     single particle energies  spin  up    
         core   contribution :  s = -2636.09669947 p = -1090.97245838
                                d =  -192.09024496
       valence  contribution :  s =    -0.56089565 p =    -0.24091766
                                d =    -0.02023754 f =    -0.00595742
                                ns     -0.00330640
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.65461900
                                   band energy per atom :   -1.4879714052

     coulomb  contribution :   0   5104.74652981  1     -0.00017091
                               2      0.00045925  3      0.00137647
                               4     -0.00769054  5     -0.00000239
                               6      0.00008591
     --------------------------------------------------------------------
     tot. coulomb contribution :   5104.74058759

     ex.-cor. contribution :   0   -329.24573943  1     -0.00004227
                               2     -0.00033305  3      0.00351688
                               4     -0.01874762  5      0.00000826
                               6      0.00034814
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.26098910

     eff. pot. contribution     :  -9893.02566371
     total double counting contribution                 :  -5117.54606522

   Total contribution of atom 11 =-12954.20068422
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08806905 p =    -0.10856651
                                d =    -0.05003508 f =    -0.01497478
                                ns      0.05132374
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10660966 p =    -0.12848887
                                d =    -0.06033519 f =    -0.01912282
                                ns      0.06274481
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46213342
                                   band energy per atom :   -0.4621334197

     coulomb  contribution :   0     -0.17854420  1     -0.00114912
                               2      0.00044996  3      0.00186979
                               4      0.00216929  5      0.00060271
                               6      0.00003355
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.17456803

     ex.-cor. contribution :   0     -0.67419410  1     -0.00118832
                               2      0.05134665  3      0.00911956
                               4      0.01957953  5      0.00411141
                               6      0.00026731
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.59095796

     eff. pot. contribution     :     -0.39716948
     total double counting contribution                 :     -1.16269547

   Total contribution of atom 12 =    -1.62482889
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74311531 p = -1151.17744400
                                d =  -209.64711312
       valence  contribution :  s =    -0.61218845 p =    -0.23145807
                                d =    -0.01384324 f =    -0.00364443
                                ns      0.00131530
     single particle energies  spin  up    
         core   contribution :  s = -2756.29218670 p = -1152.41381678
                                d =  -211.02107378
       valence  contribution :  s =    -0.71160104 p =    -0.33799095
                                d =    -0.01496109 f =    -0.00374354
                                ns      0.00121391
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.22165128
                                   band energy per atom :   -1.9269015901

     coulomb  contribution :   0   5305.57708023  1      0.00123364
                               2     -0.00092550  3     -0.00388602
                               4     -0.00525197  5      0.00056679
                               6     -0.00000215
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.56881502

     ex.-cor. contribution :   0   -339.84358202  1      0.01203426
                               2     -0.00321561  3     -0.01490632
                               4     -0.01429238  5      0.00225145
                               6     -0.00000505
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86171565

     eff. pot. contribution     : -10307.90833269
     total double counting contribution                 :  -5342.20123333

   Total contribution of atom 13 =-13580.42288460
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74326673 p = -1151.17778593
                                d =  -209.64749449
       valence  contribution :  s =    -0.61219173 p =    -0.23149415
                                d =    -0.01384113 f =    -0.00364432
                                ns      0.00131313
     single particle energies  spin  up    
         core   contribution :  s = -2756.29233797 p = -1152.41415844
                                d =  -211.02145472
       valence  contribution :  s =    -0.71160402 p =    -0.33803223
                                d =    -0.01495889 f =    -0.00374323
                                ns      0.00121109
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.22348375
                                   band energy per atom :   -1.9269854654

     coulomb  contribution :   0   5305.58138762  1      0.00124344
                               2     -0.00092935  3     -0.00388403
                               4     -0.00525464  5      0.00056745
                               6     -0.00000214
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.57312835

     ex.-cor. contribution :   0   -339.84368502  1      0.01203307
                               2     -0.00322458  3     -0.01487942
                               4     -0.01428054  5      0.00225242
                               6     -0.00000492
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86178900

     eff. pot. contribution     : -10307.91060692
     total double counting contribution                 :  -5342.19926757

   Total contribution of atom 14 =-13580.42275132
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74326669 p = -1151.17778593
                                d =  -209.64749449
       valence  contribution :  s =    -0.61219173 p =    -0.23149415
                                d =    -0.01384113 f =    -0.00364432
                                ns      0.00131313
     single particle energies  spin  up    
         core   contribution :  s = -2756.29233802 p = -1152.41415844
                                d =  -211.02145472
       valence  contribution :  s =    -0.71160402 p =    -0.33803223
                                d =    -0.01495889 f =    -0.00374323
                                ns      0.00121109
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.22348375
                                   band energy per atom :   -1.9269854655

     coulomb  contribution :   0   5305.58138771  1      0.00124344
                               2     -0.00092935  3     -0.00388403
                               4     -0.00525464  5      0.00056745
                               6     -0.00000214
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.57312845

     ex.-cor. contribution :   0   -339.84368508  1      0.01203307
                               2     -0.00322463  3     -0.01488877
                               4     -0.01427203  5      0.00225242
                               6     -0.00000492
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.86178993

     eff. pot. contribution     : -10307.91060702
     total double counting contribution                 :  -5342.19926850

   Total contribution of atom 15 =-13580.42275225
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74353215 p = -1151.18013415
                                d =  -209.65363102
       valence  contribution :  s =    -0.61543411 p =    -0.23485137
                                d =    -0.01362926 f =    -0.00354634
                                ns     -0.00002561
     single particle energies  spin  up    
         core   contribution :  s = -2756.29243312 p = -1152.41604378
                                d =  -211.02672064
       valence  contribution :  s =    -0.71404093 p =    -0.34131930
                                d =    -0.01509057 f =    -0.00384489
                                ns      0.00017255
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.25410470
                                   band energy per atom :   -1.9416098414

     coulomb  contribution :   0   5306.90051058  1      0.00157318
                               2     -0.00112296  3     -0.00382108
                               4     -0.00505509  5      0.00049443
                               6     -0.00001485
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.89256421

     ex.-cor. contribution :   0   -339.87944839  1      0.01198373
                               2     -0.00393139  3     -0.01369119
                               4     -0.01402011  5      0.00204556
                               6     -0.00003541
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.89709720

     eff. pot. contribution     : -10309.20988273
     total double counting contribution                 :  -5342.21441572

   Total contribution of atom 16 =-13580.46852042
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74338016 p = -1151.17978719
                                d =  -209.65323720
       valence  contribution :  s =    -0.61537907 p =    -0.23484726
                                d =    -0.01362885 f =    -0.00354596
                                ns     -0.00002959
     single particle energies  spin  up    
         core   contribution :  s = -2756.29228076 p = -1152.41569587
                                d =  -211.02632507
       valence  contribution :  s =    -0.71397779 p =    -0.34130286
                                d =    -0.01509098 f =    -0.00384472
                                ns      0.00016723
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.25218609
                                   band energy per atom :   -1.9414798306

     coulomb  contribution :   0   5306.88884259  1      0.00156219
                               2     -0.00112297  3     -0.00382432
                               4     -0.00505563  5      0.00049395
                               6     -0.00001477
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.88088102

     ex.-cor. contribution :   0   -339.87919793  1      0.01198175
                               2     -0.00392187  3     -0.01370364
                               4     -0.01402022  5      0.00204597
                               6     -0.00003530
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.89685124

     eff. pot. contribution     : -10309.20044010
     total double counting contribution                 :  -5342.21641031

   Total contribution of atom 17 =-13580.46859640
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74338013 p = -1151.17978720
                                d =  -209.65323720
       valence  contribution :  s =    -0.61537907 p =    -0.23484726
                                d =    -0.01362885 f =    -0.00354596
                                ns     -0.00002959
     single particle energies  spin  up    
         core   contribution :  s = -2756.29228080 p = -1152.41569587
                                d =  -211.02632507
       valence  contribution :  s =    -0.71397779 p =    -0.34130286
                                d =    -0.01509098 f =    -0.00384472
                                ns      0.00016723
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.25218610
                                   band energy per atom :   -1.9414798321

     coulomb  contribution :   0   5306.88884270  1      0.00156219
                               2     -0.00112297  3     -0.00382432
                               4     -0.00505563  5      0.00049395
                               6     -0.00001477
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.88088113

     ex.-cor. contribution :   0   -339.87919793  1      0.01198175
                               2     -0.00392188  3     -0.01370288
                               4     -0.01402074  5      0.00204597
                               6     -0.00003530
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.89685100

     eff. pot. contribution     : -10309.20044020
     total double counting contribution                 :  -5342.21641007

   Total contribution of atom 18 =-13580.46859617
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74353217 p = -1151.18013415
                                d =  -209.65363102
       valence  contribution :  s =    -0.61543411 p =    -0.23485137
                                d =    -0.01362926 f =    -0.00354634
                                ns     -0.00002561
     single particle energies  spin  up    
         core   contribution :  s = -2756.29243311 p = -1152.41604378
                                d =  -211.02672063
       valence  contribution :  s =    -0.71404093 p =    -0.34131930
                                d =    -0.01509057 f =    -0.00384489
                                ns      0.00017255
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.25410469
                                   band energy per atom :   -1.9416098415

     coulomb  contribution :   0   5306.90051075  1      0.00157318
                               2     -0.00112296  3     -0.00382108
                               4     -0.00505509  5      0.00049443
                               6     -0.00001485
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.89256438

     ex.-cor. contribution :   0   -339.87944841  1      0.01198373
                               2     -0.00393135  3     -0.01369338
                               4     -0.01402025  5      0.00204556
                               6     -0.00003541
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.89709950

     eff. pot. contribution     : -10309.20988292
     total double counting contribution                 :  -5342.21441804

   Total contribution of atom 19 =-13580.46852273
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74348996 p = -1151.18003905
                                d =  -209.65352552
       valence  contribution :  s =    -0.61541460 p =    -0.23492623
                                d =    -0.01362705 f =    -0.00354514
                                ns     -0.00002403
     single particle energies  spin  up    
         core   contribution :  s = -2756.29239103 p = -1152.41594895
                                d =  -211.02661566
       valence  contribution :  s =    -0.71401548 p =    -0.34139252
                                d =    -0.01508864 f =    -0.00384351
                                ns      0.00017250
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.25371486
                                   band energy per atom :   -1.9417046942

     coulomb  contribution :   0   5306.90002777  1      0.00155396
                               2     -0.00111423  3     -0.00381970
                               4     -0.00505797  5      0.00049406
                               6     -0.00001470
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.89206919

     ex.-cor. contribution :   0   -339.87952041  1      0.01197717
                               2     -0.00390953  3     -0.01367982
                               4     -0.01403924  5      0.00204630
                               6     -0.00003525
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.89716078

     eff. pot. contribution     : -10309.20999464
     total double counting contribution                 :  -5342.21508622

   Total contribution of atom 20 =-13580.46880109
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74348994 p = -1151.18003906
                                d =  -209.65352553
       valence  contribution :  s =    -0.61541460 p =    -0.23492623
                                d =    -0.01362705 f =    -0.00354514
                                ns     -0.00002403
     single particle energies  spin  up    
         core   contribution :  s = -2756.29239104 p = -1152.41594895
                                d =  -211.02661567
       valence  contribution :  s =    -0.71401548 p =    -0.34139252
                                d =    -0.01508864 f =    -0.00384351
                                ns      0.00017250
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.25371487
                                   band energy per atom :   -1.9417046956

     coulomb  contribution :   0   5306.90002769  1      0.00155396
                               2     -0.00111423  3     -0.00381970
                               4     -0.00505797  5      0.00049406
                               6     -0.00001470
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.89206911

     ex.-cor. contribution :   0   -339.87952041  1      0.01197717
                               2     -0.00390955  3     -0.01367974
                               4     -0.01403887  5      0.00204630
                               6     -0.00003525
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.89716035

     eff. pot. contribution     : -10309.20999452
     total double counting contribution                 :  -5342.21508576

   Total contribution of atom 21 =-13580.46880064
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70068118 p = -1151.08030841
                                d =  -209.53108852
       valence  contribution :  s =    -0.59852317 p =    -0.21579082
                                d =    -0.01190046 f =    -0.00320644
                                ns     -0.00931190
     single particle energies  spin  up    
         core   contribution :  s = -2756.24962770 p = -1152.31637835
                                d =  -210.90555573
       valence  contribution :  s =    -0.70101015 p =    -0.32681331
                                d =    -0.01335831 f =    -0.00352818
                                ns     -0.00995531
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.67703794
                                   band energy per atom :   -1.8933980501

     coulomb  contribution :   0   5318.76933116  1      0.00002531
                               2     -0.00293824  3     -0.00000361
                               4     -0.00617980  5      0.00000102
                               6      0.00000650
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.76024233

     ex.-cor. contribution :   0   -339.90490816  1     -0.00002108
                               2     -0.00981878  3     -0.00058610
                               4     -0.04234997  5     -0.00000023
                               6      0.00016194
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.95752238

     eff. pot. contribution     : -10321.74930506
     total double counting contribution                 :  -5342.94658511

   Total contribution of atom 22 =-13580.62362305
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70061436 p = -1151.08015937
                                d =  -209.53092600
       valence  contribution :  s =    -0.59851105 p =    -0.21577951
                                d =    -0.01189986 f =    -0.00320589
                                ns     -0.00931297
     single particle energies  spin  up    
         core   contribution :  s = -2756.24956071 p = -1152.31622860
                                d =  -210.90539189
       valence  contribution :  s =    -0.70099719 p =    -0.32679206
                                d =    -0.01335883 f =    -0.00352814
                                ns     -0.00995561
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.67622203
                                   band energy per atom :   -1.8933411003

     coulomb  contribution :   0   5318.76761600  1      0.00002528
                               2     -0.00293705  3     -0.00000363
                               4     -0.00617933  5      0.00000101
                               6      0.00000648
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.75852876

     ex.-cor. contribution :   0   -339.90486977  1     -0.00002110
                               2     -0.00981955  3     -0.00061156
                               4     -0.04227095  5     -0.00000024
                               6      0.00016202
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.95743115

     eff. pot. contribution     : -10321.74848128
     total double counting contribution                 :  -5342.94738367

   Total contribution of atom 23 =-13580.62360570
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.70061440 p = -1151.08015937
                                d =  -209.53092600
       valence  contribution :  s =    -0.59851105 p =    -0.21577951
                                d =    -0.01189986 f =    -0.00320589
                                ns     -0.00931297
     single particle energies  spin  up    
         core   contribution :  s = -2756.24956062 p = -1152.31622861
                                d =  -210.90539189
       valence  contribution :  s =    -0.70099719 p =    -0.32679206
                                d =    -0.01335883 f =    -0.00352814
                                ns     -0.00995561
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.67622200
                                   band energy per atom :   -1.8933411012

     coulomb  contribution :   0   5318.76761597  1      0.00002528
                               2     -0.00293705  3     -0.00000363
                               4     -0.00617933  5      0.00000101
                               6      0.00000648
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.75852873

     ex.-cor. contribution :   0   -339.90486977  1     -0.00002110
                               2     -0.00981925  3     -0.00060916
                               4     -0.04227481  5     -0.00000024
                               6      0.00016202
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.95743231

     eff. pot. contribution     : -10321.74848124
     total double counting contribution                 :  -5342.94738482

   Total contribution of atom 24 =-13580.62360682
                                   sum of band energies :  -31.7573746708
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.06706752
                                eV  : -3231119.90230720
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:27:58:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           16
25.03.2020 20:27:58:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   5.330233588153057E-010 -5.591485346748300E-006
  0.863955375083758     
 magnetic moment2 is   5.330233992967043E-010 -5.591485346442194E-006
 -8.879267390056766E-002
 magnetic moment is   3.084758230104123E-011 -3.863716803938255E-003
  4.546439854454676E-002
 magnetic moment2 is   3.084758230104123E-011 -3.863716803938255E-003
 -1.491223220020013E-002
 magnetic moment is  -3.342914939138250E-003  1.935347620899489E-003
  4.545962136786763E-002
 magnetic moment2 is  -3.342914939138250E-003  1.935347620899489E-003
 -1.493574938320713E-002
 magnetic moment is   3.342914995287594E-003  1.935347460237116E-003
  4.545962095014966E-002
 magnetic moment2 is   3.342914995287594E-003  1.935347460237116E-003
 -1.493575011738771E-002
 magnetic moment is  -3.148415306675895E-011  8.980756252588114E-004
  4.720233231662252E-002
 magnetic moment2 is  -3.148415306675895E-011  8.980756252588114E-004
 -2.062901996255284E-002
 magnetic moment is   7.887052188703691E-004 -4.590675421837756E-004
  4.715140468228091E-002
 magnetic moment2 is   7.887052188703691E-004 -4.590675421837756E-004
 -2.066809105272197E-002
 magnetic moment is  -7.887049606933460E-004 -4.590673283717478E-004
  4.715140529021233E-002
 magnetic moment2 is  -7.887049606933460E-004 -4.590673283717478E-004
 -2.066809071468414E-002
 magnetic moment is  -3.649316886970567E-011 -8.558273553041621E-007
  4.480591192116934E-002
 magnetic moment2 is  -3.649316886970567E-011 -8.558273553041621E-007
 -2.301843207432416E-002
 magnetic moment is  -8.623808655031096E-011 -2.612308955455185E-003
  0.148440735388641     
 magnetic moment2 is  -8.625653186503102E-011 -2.617529490075797E-003
 -0.119976310253049     
 magnetic moment is  -2.267295990302061E-003  1.304091503017753E-003
  0.148420909271303     
 magnetic moment2 is  -2.271817868968874E-003  1.306696580486188E-003
 -0.119999897228227     
 magnetic moment is   2.267296802217044E-003  1.304091744507163E-003
  0.148420908533769     
 magnetic moment2 is   2.271818681143264E-003  1.306696821817241E-003
 -0.119999898170689     
 magnetic moment is   5.571279347057877E-012  8.060222158867430E-007
  5.305208709619236E-002
 magnetic moment2 is   5.571279347057877E-012  8.060222158867430E-007
 -1.401006414118713E-002
 magnetic moment is   9.362758441808228E-011  9.985686751495867E-004
  0.272605521273338     
 magnetic moment2 is   9.362688239717559E-011  1.000427803167858E-003
  1.711582315543078E-002
 magnetic moment is   8.661271872818378E-004 -5.015380123850256E-004
  0.272563662742083     
 magnetic moment2 is   8.677472533508710E-004 -5.024767326286875E-004
  1.707958672677301E-002
 magnetic moment is  -8.661270690877338E-004 -5.015380037328312E-004
  0.272563661799770     
 magnetic moment2 is  -8.677471355092491E-004 -5.024767239384367E-004
  1.707958582351891E-002
 magnetic moment is   7.734197920518230E-005  1.368199520269690E-003
  0.244304801695737     
 magnetic moment2 is   7.723883416076529E-005  1.368363965324232E-003
 -8.607906298310777E-003
 magnetic moment is   1.227039358000303E-003 -6.124162063148234E-004
  0.244241501287259     
 magnetic moment2 is   1.227129040136407E-003 -6.125855701214080E-004
 -8.672747543756298E-003
 magnetic moment is  -1.227039248135217E-003 -6.124161375034270E-004
  0.244241501659545     
 magnetic moment2 is  -1.227128930297682E-003 -6.125855012968404E-004
 -8.672747187270707E-003
 magnetic moment is  -7.734154980826584E-005  1.368199630318636E-003
  0.244304799367743     
 magnetic moment2 is  -7.723840480182453E-005  1.368364075378740E-003
 -8.607908438403047E-003
 magnetic moment is   1.142722198570859E-003 -7.504755196335495E-004
  0.244293302036352     
 magnetic moment2 is   1.142913420738183E-003 -7.504710106875159E-004
 -8.620801256686711E-003
 magnetic moment is  -1.142721892220263E-003 -7.504757422201016E-004
  0.244293304827560     
 magnetic moment2 is  -1.142913114401831E-003 -7.504712332751721E-004
 -8.620798671372470E-003
 magnetic moment is  -1.383525174579372E-010 -3.425518033632633E-004
  0.250711091195188     
 magnetic moment2 is  -1.384003738165700E-010 -3.428520231921508E-004
 -2.030521024223154E-002
 magnetic moment is  -2.932668255187393E-004  1.730663104190903E-004
  0.250716096870441     
 magnetic moment2 is  -2.932682589924888E-004  1.730672018623459E-004
 -2.029899703617213E-002
 magnetic moment is   2.932668024092739E-004  1.730664048063399E-004
  0.250716099764809     
 magnetic moment2 is   2.932682358812159E-004  1.730672962498542E-004
 -2.029899433017472E-002
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.34829422  0.38061198    0.0323
          p =  0.09725886  0.11462270    0.0174
          d =  3.26561022  4.07641091    0.8108
          f =  0.00923113  0.00990000    0.0007
          ns  -0.02042826 -0.01762405    0.0028
          ------------------------------------
          TOT  3.69996617  4.56392155    0.8640
                           8.26388772
   ========================== 
      2   s =  0.24218018  0.25964258    0.0175
          p =  0.31154153  0.33158188    0.0200
          d =  0.16345029  0.17725695    0.0138
          f =  0.05907290  0.06869402    0.0096
          ns  -0.11481368 -0.13027981   -0.0155
          ------------------------------------
          TOT  0.66143122  0.70689562    0.0455
                           1.36832685
   ========================== 
      3   s =  0.24206246  0.25955677    0.0175
          p =  0.31124804  0.33129471    0.0200
          d =  0.16329079  0.17705394    0.0138
          f =  0.05901915  0.06861532    0.0096
          ns  -0.11457256 -0.13001324   -0.0154
          ------------------------------------
          TOT  0.66104789  0.70650751    0.0455
                           1.36755540
   ========================== 
      4   s =  0.24206246  0.25955677    0.0175
          p =  0.31124804  0.33129471    0.0200
          d =  0.16329079  0.17705394    0.0138
          f =  0.05901915  0.06861532    0.0096
          ns  -0.11457256 -0.13001324   -0.0154
          ------------------------------------
          TOT  0.66104789  0.70650751    0.0455
                           1.36755539
   ========================== 
      5   s =  0.16002358  0.17828102    0.0183
          p =  0.21074255  0.22787633    0.0171
          d =  0.10833831  0.11832297    0.0100
          f =  0.03672394  0.04179531    0.0051
          ns  -0.02402233 -0.02726725   -0.0032
          ------------------------------------
          TOT  0.49180605  0.53900838    0.0472
                           1.03081444
   ========================== 
      6   s =  0.15994690  0.17818537    0.0182
          p =  0.21072614  0.22783293    0.0171
          d =  0.10837591  0.11835139    0.0100
          f =  0.03673446  0.04180709    0.0051
          ns  -0.02402104 -0.02726301   -0.0032
          ------------------------------------
          TOT  0.49176237  0.53891377    0.0472
                           1.03067615
   ========================== 
      7   s =  0.15994690  0.17818537    0.0182
          p =  0.21072614  0.22783293    0.0171
          d =  0.10837591  0.11835140    0.0100
          f =  0.03673446  0.04180709    0.0051
          ns  -0.02402104 -0.02726301   -0.0032
          ------------------------------------
          TOT  0.49176237  0.53891378    0.0472
                           1.03067615
   ========================== 
      8   s =  0.21310746  0.23026500    0.0172
          p =  0.28637291  0.30413238    0.0178
          d =  0.14461271  0.15626800    0.0117
          f =  0.04076893  0.04773258    0.0070
          ns  -0.04293717 -0.05166721   -0.0087
          ------------------------------------
          TOT  0.64192484  0.68673075    0.0448
                           1.32865559
   ========================== 
      9   s =  0.80729971  0.85303775    0.0457
          p =  0.80972218  0.90537587    0.0957
          d =  0.08742934  0.09218058    0.0048
          f =  0.02070938  0.02239716    0.0017
          ns   0.01049749  0.01110747    0.0006
          ------------------------------------
          TOT  1.73565809  1.88409883    0.1484
                           3.61975692
   ========================== 
     10   s =  0.80733573  0.85305359    0.0457
          p =  0.80940820  0.90505547    0.0956
          d =  0.08743128  0.09218786    0.0048
          f =  0.02072000  0.02240825    0.0017
          ns   0.01051775  0.01112870    0.0006
          ------------------------------------
          TOT  1.73541295  1.88383386    0.1484
                           3.61924682
   ========================== 
     11   s =  0.80733573  0.85305359    0.0457
          p =  0.80940820  0.90505547    0.0956
          d =  0.08743128  0.09218786    0.0048
          f =  0.02072000  0.02240825    0.0017
          ns   0.01051775  0.01112870    0.0006
          ------------------------------------
          TOT  1.73541296  1.88383387    0.1484
                           3.61924682
   ========================== 
     12   s =  0.23413670  0.25615393    0.0220
          p =  0.31196112  0.33526374    0.0233
          d =  0.16038224  0.17583287    0.0155
          f =  0.05151554  0.05948560    0.0080
          ns  -0.11389508 -0.12958353   -0.0157
          ------------------------------------
          TOT  0.64410052  0.69715261    0.0531
                           1.34125314
   ========================== 
     13   s =  0.84570447  0.86489082    0.0192
          p =  1.25192897  1.50557390    0.2536
          d =  0.05052641  0.05158828    0.0011
          f =  0.01193633  0.01211560    0.0002
          ns   0.00262712  0.00116023   -0.0015
          ------------------------------------
          TOT  2.16272330  2.43532883    0.2726
                           4.59805213
   ========================== 
     14   s =  0.84568332  0.86487864    0.0192
          p =  1.25200883  1.50560363    0.2536
          d =  0.05052813  0.05159027    0.0011
          f =  0.01193681  0.01211529    0.0002
          ns   0.00263878  0.00117170   -0.0015
          ------------------------------------
          TOT  2.16279587  2.43535953    0.2726
                           4.59815540
   ========================== 
     15   s =  0.84568332  0.86487864    0.0192
          p =  1.25200883  1.50560363    0.2536
          d =  0.05052813  0.05159027    0.0011
          f =  0.01193681  0.01211529    0.0002
          ns   0.00263878  0.00117170   -0.0015
          ------------------------------------
          TOT  2.16279587  2.43535953    0.2726
                           4.59815540
   ========================== 
     16   s =  0.84734873  0.86578528    0.0184
          p =  1.27987807  1.50508972    0.2252
          d =  0.05055121  0.05203946    0.0015
          f =  0.01186099  0.01227667    0.0004
          ns   0.00423112  0.00298379   -0.0012
          ------------------------------------
          TOT  2.19387011  2.43817492    0.2443
                           4.63204503
   ========================== 
     17   s =  0.84731505  0.86575343    0.0184
          p =  1.27984096  1.50498313    0.2251
          d =  0.05055786  0.05204685    0.0015
          f =  0.01185867  0.01227502    0.0004
          ns   0.00424317  0.00299878   -0.0012
          ------------------------------------
          TOT  2.19381571  2.43805721    0.2442
                           4.63187293
   ========================== 
     18   s =  0.84731505  0.86575343    0.0184
          p =  1.27984097  1.50498313    0.2251
          d =  0.05055786  0.05204685    0.0015
          f =  0.01185867  0.01227502    0.0004
          ns   0.00424317  0.00299878   -0.0012
          ------------------------------------
          TOT  2.19381571  2.43805721    0.2442
                           4.63187293
   ========================== 
     19   s =  0.84734873  0.86578528    0.0184
          p =  1.27987807  1.50508972    0.2252
          d =  0.05055121  0.05203946    0.0015
          f =  0.01186099  0.01227667    0.0004
          ns   0.00423112  0.00298379   -0.0012
          ------------------------------------
          TOT  2.19387012  2.43817492    0.2443
                           4.63204504
   ========================== 
     20   s =  0.84730569  0.86575195    0.0184
          p =  1.27997721  1.50516244    0.2252
          d =  0.05055999  0.05205222    0.0015
          f =  0.01185988  0.01227463    0.0004
          ns   0.00423418  0.00298903   -0.0012
          ------------------------------------
          TOT  2.19393696  2.43823026    0.2443
                           4.63216723
   ========================== 
     21   s =  0.84730569  0.86575195    0.0184
          p =  1.27997721  1.50516244    0.2252
          d =  0.05055999  0.05205222    0.0015
          f =  0.01185988  0.01227463    0.0004
          ns   0.00423418  0.00298903   -0.0012
          ------------------------------------
          TOT  2.19393696  2.43823026    0.2443
                           4.63216722
   ========================== 
     22   s =  0.83833017  0.85951687    0.0212
          p =  1.31126746  1.54001837    0.2288
          d =  0.04821976  0.05087156    0.0027
          f =  0.01220984  0.01249888    0.0003
          ns   0.02411367  0.02194631   -0.0022
          ------------------------------------
          TOT  2.23414090  2.48485199    0.2507
                           4.71899290
   ========================== 
     23   s =  0.83833186  0.85952011    0.0212
          p =  1.31124496  1.53999762    0.2288
          d =  0.04822074  0.05087283    0.0027
          f =  0.01220906  0.01250089    0.0003
          ns   0.02411553  0.02194679   -0.0022
          ------------------------------------
          TOT  2.23412214  2.48483824    0.2507
                           4.71896038
   ========================== 
     24   s =  0.83833186  0.85952011    0.0212
          p =  1.31124496  1.53999762    0.2288
          d =  0.04822074  0.05087283    0.0027
          f =  0.01220906  0.01250089    0.0003
          ns   0.02411553  0.02194679   -0.0022
          ------------------------------------
          TOT  2.23412214  2.48483824    0.2507
                           4.71896038
 
############################################
 
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.263885
       spin moment in wigner seitz cell =    0.863955
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -0.736115
                              spin magnetic moment =     0.863955
 
  Atom    2 charge in wigner seitz cell =    1.368325
       spin moment in wigner seitz cell =    0.045464
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.368325
                              spin magnetic moment =     0.045464
 
  Atom    3 charge in wigner seitz cell =    1.367553
       spin moment in wigner seitz cell =    0.045460
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.367553
                              spin magnetic moment =     0.045460
 
  Atom    4 charge in wigner seitz cell =    1.367553
       spin moment in wigner seitz cell =    0.045460
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.367553
                              spin magnetic moment =     0.045460
 
  Atom    5 charge in wigner seitz cell =    1.030814
       spin moment in wigner seitz cell =    0.047202
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.030814
                              spin magnetic moment =     0.047202
 
  Atom    6 charge in wigner seitz cell =    1.030675
       spin moment in wigner seitz cell =    0.047151
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.030675
                              spin magnetic moment =     0.047151
 
  Atom    7 charge in wigner seitz cell =    1.030675
       spin moment in wigner seitz cell =    0.047151
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.030675
                              spin magnetic moment =     0.047151
 
  Atom    8 charge in wigner seitz cell =    1.328652
       spin moment in wigner seitz cell =    0.044806
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.328652
                              spin magnetic moment =     0.044806
 
  Atom    9 charge in wigner seitz cell =   49.619754
       spin moment in wigner seitz cell =    0.148441
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.380246
                              spin magnetic moment =     0.148441
 
  Atom   10 charge in wigner seitz cell =   49.619244
       spin moment in wigner seitz cell =    0.148421
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.380756
                              spin magnetic moment =     0.148421
 
  Atom   11 charge in wigner seitz cell =   49.619244
       spin moment in wigner seitz cell =    0.148421
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.380756
                              spin magnetic moment =     0.148421
 
  Atom   12 charge in wigner seitz cell =    1.341251
       spin moment in wigner seitz cell =    0.053052
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =     1.341251
                              spin magnetic moment =     0.053052
 
  Atom   13 charge in wigner seitz cell =   50.598050
       spin moment in wigner seitz cell =    0.272605
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.401950
                              spin magnetic moment =     0.272605
 
  Atom   14 charge in wigner seitz cell =   50.598153
       spin moment in wigner seitz cell =    0.272564
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.401847
                              spin magnetic moment =     0.272564
 
  Atom   15 charge in wigner seitz cell =   50.598153
       spin moment in wigner seitz cell =    0.272564
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.401847
                              spin magnetic moment =     0.272564
 
  Atom   16 charge in wigner seitz cell =   50.632043
       spin moment in wigner seitz cell =    0.244305
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.367957
                              spin magnetic moment =     0.244305
 
  Atom   17 charge in wigner seitz cell =   50.631870
       spin moment in wigner seitz cell =    0.244241
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.368130
                              spin magnetic moment =     0.244241
 
  Atom   18 charge in wigner seitz cell =   50.631870
       spin moment in wigner seitz cell =    0.244241
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.368130
                              spin magnetic moment =     0.244241
 
  Atom   19 charge in wigner seitz cell =   50.632043
       spin moment in wigner seitz cell =    0.244305
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.367957
                              spin magnetic moment =     0.244305
 
  Atom   20 charge in wigner seitz cell =   50.632165
       spin moment in wigner seitz cell =    0.244293
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.367835
                              spin magnetic moment =     0.244293
 
  Atom   21 charge in wigner seitz cell =   50.632165
       spin moment in wigner seitz cell =    0.244293
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.367835
                              spin magnetic moment =     0.244293
 
  Atom   22 charge in wigner seitz cell =   50.718991
       spin moment in wigner seitz cell =    0.250711
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.281009
                              spin magnetic moment =     0.250711
 
  Atom   23 charge in wigner seitz cell =   50.718959
       spin moment in wigner seitz cell =    0.250716
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.281041
                              spin magnetic moment =     0.250716
 
  Atom   24 charge in wigner seitz cell =   50.718959
       spin moment in wigner seitz cell =    0.250716
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  16 charge neutrality in unit cell =    -1.281041
                              spin magnetic moment =     0.250716
 
                    TOTAL mag. moment in unit cell =     4.720539
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:31:30:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:30:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.1137D-01  ,  v+ - v- =  2.8585D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.5857D-01  ,  v+ - v- =  3.0091D-03
      rms-error for atom  2 :v+ + v- =  2.0222D-02  ,  v+ - v- =  3.4461D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.6913D-02  ,  v+ - v- =  1.0646D-03
      rms-error for atom  3 :v+ + v- =  2.0439D-02  ,  v+ - v- =  3.4460D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.7510D-02  ,  v+ - v- =  1.0673D-03
      rms-error for atom  4 :v+ + v- =  2.0439D-02  ,  v+ - v- =  3.4460D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.7510D-02  ,  v+ - v- =  1.0673D-03
      rms-error for atom  5 :v+ + v- =  3.7984D-02  ,  v+ - v- =  4.0621D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.4894D-02  ,  v+ - v- =  6.1826D-04
      rms-error for atom  6 :v+ + v- =  3.7864D-02  ,  v+ - v- =  4.0623D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.5319D-02  ,  v+ - v- =  6.2139D-04
      rms-error for atom  7 :v+ + v- =  3.7864D-02  ,  v+ - v- =  4.0623D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.5319D-02  ,  v+ - v- =  6.2139D-04
      rms-error for atom  8 :v+ + v- =  1.8293D-02  ,  v+ - v- =  3.7725D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.3004D-02  ,  v+ - v- =  8.2217D-04
      rms-error for atom  9 :v+ + v- =  2.6259D-02  ,  v+ - v- =  4.0462D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.2052D-02  ,  v+ - v- =  6.4729D-04
      rms-error for atom 10 :v+ + v- =  2.6359D-02  ,  v+ - v- =  4.0462D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.2238D-02  ,  v+ - v- =  6.4765D-04
      rms-error for atom 11 :v+ + v- =  2.6359D-02  ,  v+ - v- =  4.0462D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.2238D-02  ,  v+ - v- =  6.4765D-04
      rms-error for atom 12 :v+ + v- =  4.5055D-02  ,  v+ - v- =  3.4131D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.7260D-02  ,  v+ - v- =  8.3985D-04
      rms-error for atom 13 :v+ + v- =  3.6671D-02  ,  v+ - v- =  3.3101D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  1.6875D-02  ,  v+ - v- =  6.7170D-04
      rms-error for atom 14 :v+ + v- =  3.6712D-02  ,  v+ - v- =  3.3101D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  1.6896D-02  ,  v+ - v- =  6.7461D-04
      rms-error for atom 15 :v+ + v- =  3.6712D-02  ,  v+ - v- =  3.3101D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  1.6896D-02  ,  v+ - v- =  6.7461D-04
      rms-error for atom 16 :v+ + v- =  2.0508D-02  ,  v+ - v- =  3.3365D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  9.6755D-03  ,  v+ - v- =  8.5829D-04
      rms-error for atom 17 :v+ + v- =  2.0466D-02  ,  v+ - v- =  3.3366D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  9.6361D-03  ,  v+ - v- =  8.3562D-04
      rms-error for atom 18 :v+ + v- =  2.0466D-02  ,  v+ - v- =  3.3366D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  9.6361D-03  ,  v+ - v- =  8.3562D-04
      rms-error for atom 19 :v+ + v- =  2.0508D-02  ,  v+ - v- =  3.3365D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  9.6755D-03  ,  v+ - v- =  8.5829D-04
      rms-error for atom 20 :v+ + v- =  2.0499D-02  ,  v+ - v- =  3.3365D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  9.6692D-03  ,  v+ - v- =  8.7542D-04
      rms-error for atom 21 :v+ + v- =  2.0499D-02  ,  v+ - v- =  3.3365D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  9.6692D-03  ,  v+ - v- =  8.7542D-04
      rms-error for atom 22 :v+ + v- =  1.7607D-02  ,  v+ - v- =  3.6476D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  8.0947D-03  ,  v+ - v- =  5.1126D-04
      rms-error for atom 23 :v+ + v- =  1.7584D-02  ,  v+ - v- =  3.6475D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  8.1008D-03  ,  v+ - v- =  5.1355D-04
      rms-error for atom 24 :v+ + v- =  1.7584D-02  ,  v+ - v- =  3.6475D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  8.1008D-03  ,  v+ - v- =  5.1355D-04
      ITERATION  16 average rms-error : v+ + v- =  4.9644D-02
                                        v+ - v- =  3.5830D-02
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.232864043617235E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.880435618583709E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.078895853154498E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.164526100254753E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.225146599497567E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.513046669300022E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.256991794189006E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.803704233300665E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.404739107743273E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  2.021530270994442E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.442280124299365E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.623500458226529E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.848469592011211E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  1.991432633578061E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.819466723882701E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.960569260893726E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.270780364989258E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  4.037548740153067E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.217831599683196E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.394480916999394E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.305421863026862E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.074907110752683E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  7.971301764785207E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  8.446227502545251E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.959615445097339E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.242121422844885E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.232306791276297E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.119522790971027E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.477961547383714E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.707835700101200E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.101467207373248E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.286470439555912E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  7.821819680111960E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.314867885200821E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.837458925502049E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  4.941035642817682E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.095162000108694E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.519516166355798E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  3.881894137370814E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.727897651184886E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  7.252032352589821E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.812389388730102E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.478508192717236E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.566821544673093E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.219918353415305E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.912933923384091E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.885552433611797E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.458538476386140E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.666862902316912E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  4.092572797684641E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.127785994624714E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.536863638565352E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.477988019732005E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.140173041679647E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  6.773552121832421E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  9.028809025250641E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.095958334464968E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.045358289627205E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  3.952328868128328E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.692045502892735E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.208826367966322E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  4.477882463064380E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.440753845328872E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  3.399712786642138E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  5.902115318810639E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  1.049564815215844E-006
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  5.971319757285419E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  2.046389234104881E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  3.552578302831552E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  4.622038427923075E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  4.629109034868431E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  8.582142536945353E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  3.391725077887958E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  3.432942590272284E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  3.782023114686380E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  1.965110340732576E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  5.034878775132767E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  3.600839763135748E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  5.866213885635783E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  4.477882124612581E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.440349268877370E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  3.399712663022657E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  5.902116379826671E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  1.048946119015094E-006
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  5.971319429557351E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  2.046389129092837E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  3.552578247172475E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  4.622038181508544E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.629946128155439E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  8.581180645320042E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  3.391725033418910E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  3.432942989290657E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  3.782022905034063E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  1.965110225084887E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  5.034702214350471E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  3.600839493361449E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  5.866215048638625E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  5.839027933301073E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.581039459223091E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.223992535190447E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  7.697594585931650E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  2.090408608540832E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  8.759008862046583E-004
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  8.186886082075518E-012
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  4.449308662606809E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.346119651647712E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.605997036328890E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  6.046934609754304E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.440301486278276E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  3.744478948456248E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.253330996671657E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  5.487072615668723E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.181823333568011E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  5.941764064940807E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.376306198610802E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  1.883014240417941E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  9.616466946522774E-012
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.117546061274983E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  8.174644129621102E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.357732061843390E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.298366897119120E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.510996143845288E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  2.565347216369365E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.486501486715908E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  5.943442438400506E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.891100927137766E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  5.940998703001209E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.539965450987610E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  7.698026770275607E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.384694767282822E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  8.777569780309124E-004
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  6.584287740871819E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.232548866337012E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  4.739290067712768E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  3.232226896106817E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  3.020694250751920E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  5.223214027511105E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  1.878364414356809E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.441759645221109E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  2.738003823221852E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  2.310831663658623E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  5.949259372565750E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  1.884949744288847E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.848296856707990E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.359638125969036E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.448811864535014E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  3.752927477757887E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  5.145743651792745E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  5.130960743361856E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.280817305639827E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.231592224487366E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  2.970411711711420E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.455135326620360E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  2.971223879573220E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  6.497034703039205E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  7.698026471308096E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.384694559359135E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  8.777569397924155E-004
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  6.584287568187024E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.232527350330994E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  4.739291700857246E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  3.232228064452129E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  3.020694148572589E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  5.223215867435984E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  1.878364359569358E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.442467392844092E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  2.738003756690826E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  2.310831521254065E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  5.949259217124592E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  1.884949623333631E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.848296697750265E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.359631729534569E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.450132699427512E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  3.752927381928646E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  5.145746131215785E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  5.130961451473521E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.280817248250933E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.231593800544401E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  2.970411607060243E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.455117649869387E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  2.971223777659062E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  6.497037428771157E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  2.031961099529035E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.789534850651086E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.570105300248257E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.134581225198612E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.573629505113853E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.710282584101972E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  1.002874310964675E-010
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.559716022411658E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.095176102215706E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.254284296682264E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.128990112592066E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.531762163186030E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.592377337011785E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.212867480323874E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.924856838051611E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.717502581268473E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.710363790967223E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.687503987931254E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.832491769281762E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.173804955984099E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.443918592211153E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.339252315170683E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.150968401154602E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.073404190652793E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.274329992569133E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.428158353782419E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.260984941706292E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.165010202523096E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  1.031647700775216E-006
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.009014578791906E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.949848732407706E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.133173603750677E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.069039544726969E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.519158965003445E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.444882083153996E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.341029584411191E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.263340526508126E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.028916545825655E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  6.341352382591215E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.769706589274537E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  5.238728322336934E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  3.935167206071848E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.128202914500369E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.323363549683650E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.830674230327538E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.661870090253768E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  3.853731065686463E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  8.254093771982746E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  4.550705680134420E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  9.311327541746229E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  3.745092267654676E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  3.306784329470653E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  5.279301312118352E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  4.699488799688128E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.361048855141929E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  3.279024155034704E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.561941297923028E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.222550707040854E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.262897075783534E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  2.251362620411954E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.295384377575769E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.254696026661161E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  5.859968846984856E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.517642910288285E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  4.499637016435305E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.926313136811987E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  2.814474502172929E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  6.449975716835394E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.986568632902407E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  3.392290494760442E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.099777818556917E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  3.242492496637535E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  3.921505886022381E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  1.922523117552398E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  3.338516057509926E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  2.270784295255124E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.687703711023565E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  1.859591517097391E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.627750078350784E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  2.853146384561669E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  4.187524101875309E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.627296849058285E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.594214881379498E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  3.812919039770623E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  2.869918586947709E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.647633929970212E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.135935907713680E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  2.445554144655493E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  3.888478917135965E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  2.929233619854055E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  5.077293636310952E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  2.254696544127995E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.684372260278141E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.403789131399605E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  1.946549750355867E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.986568408675649E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  3.392290449652183E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.099872481081235E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  3.242492992825846E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  3.921506817246396E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  1.922523024019890E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  3.338516979200830E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  2.270784121574947E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.687880930255976E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  1.859591344771734E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.627750008385725E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  2.853146657862535E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  4.187523906568333E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.627296864001203E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.594246006422778E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  3.812918829477634E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  2.869918907056009E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.648851566995090E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.135935982505075E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  2.445555279624223E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  3.888478272091147E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  2.929233511574787E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  5.077293740892013E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  2.254696454418063E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.685090765551935E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.403789040119938E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  1.946548320180244E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  4.991672936641319E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.723240487569327E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.678511554869216E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  4.305243585822544E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.909242609804311E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  9.685818108285609E-007
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.278804638975290E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  8.216906183515546E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.906619937648473E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.707781155855519E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.357229041979749E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.961483633391609E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.033777130955535E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.742990119069935E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.901572937376538E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  1.010075213185347E-006
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.176803214245091E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  5.490467477682404E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  9.251281344333724E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.051392331909079E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.834753819019284E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.446537619906465E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.434744277988550E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.139163645636126E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.273825081924279E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.626692194449735E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.331549635218980E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.288709174485064E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  6.072629252422971E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.333512645697810E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.311173039570058E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.347971826785079E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.862936765010897E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.533974073007755E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.021219843044528E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.082027125717405E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.424014735082489E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.562151654672320E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.502059978491368E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.341280992096055E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.548915810116596E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  1.008079768720969E-010
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.634451373763284E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.541111028008694E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.371145480235141E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.121451482256719E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  3.681048418783531E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.735003665936638E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.888106194757131E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.397668945307126E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  4.085884864111651E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.184638300701433E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.113773332368150E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.192946026795902E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.187133778655185E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.768110365468653E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.052047265135908E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.294945005086068E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.905563736545722E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.040564585019193E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  7.572818518076264E-005
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.170873105239571E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.264659344884197E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  8.648547472721146E-005
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.537936611194706E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.464361574617992E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.906124441392850E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  9.089597010118774E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  2.227875385777427E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.287791126203672E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.363234575913401E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.693004252814068E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.211286446566555E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.851788857874087E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  3.198956360604179E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.470902475346460E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.472950689576483E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  6.932433520992437E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  2.019387368576475E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  1.128996290193857E-004
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  2.415025139561102E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  6.026627799002013E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  1.033399983788111E-004
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.390854783537644E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.579515850238029E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  6.502755262301567E-005
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  3.558354856298950E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.739900287471099E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  3.800872358396048E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.274512053822872E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  4.353799393931361E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  7.514043604190660E-005
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  7.323076168345169E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.038170069575118E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  8.334995183174046E-005
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  6.619396130869624E-005
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  2.227872536861783E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.287791078537626E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.363234519421485E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.692758417332095E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.211288832748089E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.851788746171066E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  3.198959410402766E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.470902389695519E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.472828733190984E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  6.932433383441549E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  2.019387481837441E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  1.128996981830564E-004
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  2.415026604008450E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  6.026627277765024E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  1.033401304675639E-004
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.390854724221970E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.580647312114553E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  6.502754899891619E-005
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  3.558364144019261E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.738533939757445E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  3.800872239133414E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.274512260844832E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  4.353799152601207E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  7.514047606460019E-005
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  7.323075868167953E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.037154941078006E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  8.334994527675703E-005
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  6.619393973654868E-005
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  9.558190118265814E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.348620189871545E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  2.127671583425388E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  2.218087052907158E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  2.565889082198866E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  9.045731234268125E-005
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  9.868084215536740E-005
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.718904532829378E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  2.854912195304890E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  6.027150934282488E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  5.657340821486869E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  3.107581852272751E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  8.071801964729475E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.294395389976756E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  9.847206039543430E-005
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  9.033294374240774E-005
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.329372639016337E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.745065629404755E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  2.878021125550271E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.485716566776544E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  6.830700018159391E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.592056954971331E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.443920669530143E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  3.369727752627727E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  6.698073228585234E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  3.010035757045430E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.324852955056876E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  4.458315953616925E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.212191141726370E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.314422013675944E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.799851998350781E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  1.860541670250335E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  3.335864422537477E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  5.318208035526457E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  2.579331449757706E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.196609803994704E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.090223448206070E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.487306250904391E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  2.068094536518315E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.750895042466394E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  6.156942796943077E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.714963158753233E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  9.092456294317116E-005
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  8.939108388903129E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  2.233866003183950E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  6.097100220111883E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  3.959154307715774E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.324491541931268E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.093971760328044E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.750096010774685E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  3.423397258964751E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  5.418491617208037E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.080005588734729E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  4.212958385937531E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  4.555404295269898E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.599880903832284E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  3.643524291625228E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  9.716579397943542E-005
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  6.670658403494535E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  4.049373202444663E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  3.484216392536427E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  2.379269578803275E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.219787545989387E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.749421511645202E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  4.316793986433486E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  1.826690520075610E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.167929044702874E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  4.889405394832283E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  2.579326465186370E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.196609739202381E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.090216141407551E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.487314514408500E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  2.068094298112360E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.750896018042353E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  6.156942774233048E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.714961408095894E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  9.092427640194148E-005
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  8.939117806250281E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  2.233865774234575E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  6.097067815214487E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  3.959153520243370E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.324503645624437E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.093970894341759E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.750095871226012E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  3.423410192137128E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  5.418470348010303E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.080005142260957E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  4.212946723263828E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  4.555403932696221E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.599894660638584E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  3.643523663726385E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  9.716558451323582E-005
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  6.670639499787059E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  4.049372604849739E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  3.484220724787026E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  2.379262120022258E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.219787383849102E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.749415052501816E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  4.316793601007471E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  1.826680028393241E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.167928381225205E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  4.889389362269150E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  9.558190233854560E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.348613390231145E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  2.127671463364670E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  2.218082450906832E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  2.565889096143525E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  9.045719503433519E-005
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  9.868084674337101E-005
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.718905862724827E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  2.854903712604307E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  6.027161480684486E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  5.657340451497207E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  3.107550022348547E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  8.071802486744032E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.294384075351470E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  9.847204321960516E-005
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  9.033293049084432E-005
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.329388056189501E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.745072706661269E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  2.878021118977227E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.485705005598664E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  6.830699360408995E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.592043039184148E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.443921118799932E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  3.369713393731822E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  6.698090051247103E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  3.010035524507798E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.324858342241030E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  4.458309035099037E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.212190849887680E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.314429985536224E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.799851908771952E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  1.860551616522004E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  3.335864769479194E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  5.318192182258388E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.096785294379191E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.458214859072683E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.313253660848652E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  9.896097077122563E-005
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  9.031165407228548E-005
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.903196730807806E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  2.714902333577297E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.984910036620133E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.722919565785160E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.234086760651335E-005
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  5.592571124508439E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  4.932566197203358E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  3.819458512696234E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  8.841655976323692E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.326712823205677E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  5.632094914404330E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  6.933559483068403E-005
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  2.490784064878323E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  6.354744442018374E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  4.351224911434322E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.479185101446129E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  2.588017342288071E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.683528086447545E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  4.607818111615978E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  6.114167426075255E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  6.675566485923138E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  5.556991368652443E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.169876401254272E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.183065506727461E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.664304215687008E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  2.915335037022492E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  3.820710708935870E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  1.845477220312353E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  3.740033244365382E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.658078772690807E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.096785817516769E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.458210926683119E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.313253581589996E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  9.896111089069561E-005
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  9.031173431463553E-005
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.903197209474499E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  2.714903270851712E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.984910405865888E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.722921033509778E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.234061880997029E-005
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  5.592574876059921E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  4.932566122567549E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  3.819437918598772E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  8.841656586021584E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.326701366773991E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  5.632094040576339E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  6.933559380577957E-005
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  2.490772874370977E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  6.354725813792628E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  4.351225406705220E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.479181709229665E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  2.588017146865987E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.683514592155806E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  4.607818759903174E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  6.114147566394034E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  6.675584056844473E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  5.556991583920514E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.169874664723429E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.183070073193331E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.664304205091419E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  2.915326766104580E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  3.820710838130120E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  1.845487252339946E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  3.740033491166766E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.658084968480918E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  8.119715652218415E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.305272291619506E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.758351407759638E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  1.998346994244802E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  9.541631411248829E-005
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  9.671161887506775E-012
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.318667916519794E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  7.310978902425172E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  1.646075100075296E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  3.843319316686726E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.197955653995683E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.511396876474668E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.958234907305526E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.394154756701557E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  8.779334321098192E-005
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.273427920309032E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  2.925430927132086E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  2.730813141522906E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.190336619808964E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  3.534610623731801E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.237504988094834E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.585483886384995E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.727348006512268E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  2.837587872177647E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  8.011177675310268E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.654959595327416E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.286014990013142E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  9.323524936783212E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.682733077839255E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  4.863246329889733E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.554858110456885E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.253339620317344E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  8.838396363208447E-005
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.407191422750879E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  7.433513416211561E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.216866104664628E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  2.457593377913499E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.413962143811513E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  1.696491002941990E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  9.791244829826047E-005
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.769242984650547E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  9.853046839798124E-005
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  9.626773534820540E-005
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.425464554926494E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.134602772943092E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  2.029567003874845E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  8.333618744656812E-005
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.768178815190043E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.660823106274129E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  7.308241595405775E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  1.003869873666261E-004
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.782717682795460E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  4.261085669889181E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.477692131984975E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.505529666202658E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.383997263521466E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  2.112485435265100E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  3.563061059622072E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  7.034032151983901E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  7.785065614903335E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.728513351913942E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.380370952803940E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.043642929257232E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.316450148301654E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.138551796088770E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.413128539549539E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.926640856108127E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  2.446483710898978E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.576167403213948E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  6.663212430468263E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  4.473300449047647E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  7.952212945657015E-005
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  3.835391043817073E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.337236212633377E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.427354603726661E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  4.246669650717057E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  1.696484655770497E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  9.791242651745703E-005
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.769231530839317E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  9.853047391639526E-005
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  9.626774009456584E-005
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.425464798535257E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.134602661271343E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  2.029566859641455E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  8.333619967236679E-005
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.768226317751950E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.660802203417546E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  7.308242573049943E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  1.003869814466973E-004
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.782712927887286E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  4.261085967118922E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.478818980726924E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.505529344678587E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.383997201515515E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  2.112486446886088E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  3.563061635247502E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  7.034035006906646E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  7.785065387376433E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.728513128962120E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.380370938794204E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.043642515744288E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.316410714494117E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.138550974261765E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.413129474055592E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.926893644900746E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  2.446483809499338E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.576136993699326E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  6.663187457076290E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  4.473300064546797E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  7.952212175456914E-005
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  3.835390778705502E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.323087621229205E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.427354286415956E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  4.246641639036056E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.041201965234754E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.960495953801672E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  2.068380088307934E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.631266381125195E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.387460001915412E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.684017197881934E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.916395326824982E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.815308820598922E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.132765064244695E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.819978414170063E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.701038119239472E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.585437663095782E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.356061114422127E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.541756394259229E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.852104033094850E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.550762645858795E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.209135478353204E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.417331077667538E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  1.063206567343603E-006
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.387689893433309E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.203722446123223E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.093321075026370E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  7.857712562164041E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  8.054985209448668E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.507627984993050E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.207258547750344E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.050489348289919E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.092363564964690E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  5.370656436672713E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.163842157744988E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.580629266568845E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.507114821631331E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.193813191965346E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.306578871978964E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.816300775812761E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  4.786662943647900E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  8.075093344142843E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.581947200213117E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.213077034598276E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.111662105155345E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  7.964801639177790E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.908080396350908E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.750074880602166E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.723341770131109E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.227271293987446E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  1.992608314889395E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.082416645116451E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  9.759176753103507E-011
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.734571908393131E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  4.669698227078159E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.136573991051986E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.340106102354679E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.129212174023018E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.127369915536858E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  7.100349769971767E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.311317203685833E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.092765730424126E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.111464464697257E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  4.293694573863290E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.757059328250395E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.271836007382466E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  3.939410446945309E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.808062121768743E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  3.525242831608694E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  6.124551133750147E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.216631070841992E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  6.519278059551161E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  2.323882332602093E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  4.034602715392450E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  4.412567071132221E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.842895583595085E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  6.188663623346562E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  3.556329418049624E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  3.728704603892015E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  3.821622858483833E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  2.134500719367972E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.452341546240852E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  3.749347641135852E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  6.151747457057945E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  3.939410237648455E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.807622625738550E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  3.525242747869048E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  6.124552218456266E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  3.211188542034184E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  6.519277858893599E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  2.323882271923919E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  4.034602542113442E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  4.412566878088438E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.843276739891147E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  6.187720242476926E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  3.556329404290117E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  3.728705155001173E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  3.821622689129562E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  2.134500613686576E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.452042270235442E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  3.749347409105748E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  6.151748738042546E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  7.717845807950660E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  3.025907765015268E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.735873864199202E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  7.623618788154480E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  2.264572160427044E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  8.897620361089281E-004
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.101777934512521E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  5.362089151352159E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.379950830969437E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  9.955102923033401E-011
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  6.513982490372064E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.478528423581569E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  4.341277234722126E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.339367741403506E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  5.723620305705975E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.164270318502432E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  5.853238088475827E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.748832367214928E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  2.227550897963023E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.111652918397555E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.146663317307330E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.093403282771039E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.259423224736596E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.390366030694057E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.137152858009683E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  2.644266042192605E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.586108980292341E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  6.399298715831844E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.921287285334689E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  6.354376784818824E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.685126510225808E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  7.621323871274454E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.173385226198900E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  8.913928020524161E-004
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  6.587877338470964E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.358857851508152E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  4.945614021940979E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  3.750693590649075E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  3.250423215375704E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  5.625681967691117E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  2.180003369813352E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  4.013547972381503E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  2.853557678704619E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  2.109130445692817E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  5.861036819567520E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  2.230546083603128E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.911067097233875E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.545134663111365E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.367570561033993E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  3.952316267130674E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  5.503635189612710E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  5.524506024023897E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.320014972616409E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  2.299643795082651E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  3.194037205113731E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.676841051523215E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  3.174737190562886E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  6.849479127004344E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  7.621323675281278E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.173384928417612E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  8.913927856368241E-004
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  6.587877228633837E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.358840745084246E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  4.945615994892409E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  3.750694902916430E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  3.250423071886598E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  5.625683868098365E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  2.180003321195222E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  4.014271507018880E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  2.853557583201541E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  2.109130349444866E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  5.861036707489797E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  2.230545947354864E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.911066981383725E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.545126767827577E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.368932103932651E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  3.952316134110173E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  5.503637850059602E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  5.524506907345557E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.320014906479189E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  2.299645391098695E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  3.194037079938785E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.676732170454188E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  3.174737063227247E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  6.849482061017955E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.247216940777761E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  1.000516401069560E-010
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.754947686494281E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  8.049497923287015E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.079817028272469E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.050956416878716E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.016474993380057E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.157753685871641E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.220972616120809E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.796967742533324E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.184956538746330E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.609170228190403E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.775012914075782E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.715240470831683E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.986353719709221E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.096118874877938E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.794442364808695E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.096444999004295E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.082890015799755E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.659293081334732E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.728365290621521E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.537849110692060E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.232781440605097E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.298574737929396E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.319728874659711E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.834079391009879E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.845199173626585E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.169578265266745E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  9.105997994242940E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.071327193381361E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.404513749309105E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  6.878890366173604E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.488035046384269E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.702863120738240E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.458545946619460E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.685545628520876E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.350881030886278E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.655561689974342E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  6.479817445816543E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.363917663863136E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  6.278120323450018E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  4.812371856877216E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.786300638094608E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  2.157003168464247E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.549678265748090E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  7.974251788556233E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  4.012216073503044E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.650082935498659E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  4.128020889857687E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  1.006245684654380E-010
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  3.369389679284521E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  3.208067024860480E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  4.976202418088387E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  5.124609331792251E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  6.168954833084300E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  2.856216154156912E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.916499493888046E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.184711133842004E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.581947055492219E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  2.080604563606888E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.878316434809247E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.767196382313936E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  6.174732495198738E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.655563786610350E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  4.745735271539136E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.819099712271594E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  2.883461261673479E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  6.251784938047435E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  2.428127864418630E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  4.146022895800068E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.711096479945187E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  2.917745134929789E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  3.554974132211685E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  2.001009740066179E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  3.474750813302510E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  2.058920643673403E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.117889757886074E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  1.670940749659796E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.576837499689727E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.487469326139417E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  4.439144413443171E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.415080665138933E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.754853454626228E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  3.534545427651871E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  2.784809985740611E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.182318409645378E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.050191885543426E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  2.505899740151208E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  4.100144164530167E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  3.086292694054573E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  5.348840879767662E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  2.378011592764170E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.143274661990017E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.438063913825018E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  1.798255059431047E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  2.428127589701184E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  4.146023109006266E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.711185231490729E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  2.917745727985778E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  3.554975065192273E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  2.001009658274970E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  3.474751905928443E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  2.058920553829293E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.118060846313313E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  1.670940641198345E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.576837430718013E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.487469579259332E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  4.439144240923034E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.415080669446668E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.754882599813114E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  3.534545275089141E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  2.784810254776322E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.183566645385940E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.050191930706239E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  2.505900858660073E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  4.100143556390639E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  3.086292600807402E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  5.348841033749670E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  2.378011530343395E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.144008211359236E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.438063837205650E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  1.798253753043278E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  4.240925478188645E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.468050851277141E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.904165379699878E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.471900771532031E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  8.019522498265662E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  1.230984544154143E-006
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  7.975056234016700E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  7.728204631245394E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.147704979630934E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.835259384179590E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.567010732416416E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.058216461165966E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.027962786657040E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  8.453871296004471E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.911669061817147E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  9.010559838557878E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.206629366697607E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  6.570796949793063E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  8.407221216721081E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.966780160119477E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.335133764846934E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.096264657544877E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.849311091078198E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  2.918321052411148E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.381649441793593E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.538805543355178E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.363913393872359E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287091555183564E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  6.303937538734405E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.782630365768290E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.540734122619172E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.517047691322705E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.369341356065421E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.533005695032802E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.017560950664012E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.149544628788450E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.641371796635365E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.588083867295758E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.497862315615555E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  3.981092964547260E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.806141944422043E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  9.012809022972297E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.201856567121939E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.692309297172067E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.346565906211037E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.071701181344066E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  3.453360160045492E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.666242282601808E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.295586753146465E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  2.069987168162582E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  1.009114692231852E-004
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.203666117169281E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.118857948205133E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  1.013439989310801E-004
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  8.072060676574320E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  3.185865731930875E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  6.994038515973460E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.671960155137385E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.014412397711349E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.002403146554898E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  8.882911946762247E-005
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.463336897243351E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.119242251629575E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  9.421340616188784E-005
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.461002298381453E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.583381372271500E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.701513790445151E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.846787059379855E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  2.451529536190332E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.412734677166296E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.659302743601100E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.424339833000736E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.794124801420643E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.740472471412485E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  3.002782039721034E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.210708341967776E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.398444120030166E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  1.029977140222301E-004
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.950972373043077E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.453666509734471E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  2.778087220143087E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  5.129799960726149E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  8.778131664942167E-005
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.598678155014560E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.439723709828521E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  8.352015486324442E-005
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.742268321129132E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.560267888139837E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  4.444557479740692E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.377822800270077E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  4.726820590358733E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  8.179903985341542E-005
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  7.908667037174888E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.812474296380415E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  6.513473081577445E-005
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  7.755571003016647E-005
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  2.451526975592319E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.412734625901769E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.659302620748868E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.424333942048900E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.794127296748636E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.740472361356752E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  3.002785002684214E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.210708262708309E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.398337805735353E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  1.029977104487507E-004
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.950972331359155E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.453668457261404E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  2.778088860037377E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  5.129799578552959E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  8.778146304705258E-005
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.598678072219258E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.440839208346852E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  8.352015177058950E-005
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.742286637990483E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.558966602283189E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  4.444557282921508E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.377822947835048E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  4.726820332438650E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  8.179913643344493E-005
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  7.908666730611882E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.811530618716948E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  6.513472669892368E-005
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  7.755568444455476E-005
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  3.074852088144952E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.607037347479912E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.672685154203873E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  7.773794472487184E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.312382446504025E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  1.633245380091983E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  9.143242111647440E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.600382320754109E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.127951140126442E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  7.774536776873210E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  6.312761817465424E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  6.361899176415536E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.242492754699761E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.543631719885772E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  3.979874477271649E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.532879298046172E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.576330406965089E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  3.304241094004730E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  5.311012040789362E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  3.579655933473851E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  5.070270913703850E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.857493301356968E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.130525703332246E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  6.023773197051295E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  6.152706542968777E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  2.782830505632782E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  6.539363635565451E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.468830982398249E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  3.175513108186213E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.448513485778623E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.600178191790230E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.699586958026919E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  9.457983543209250E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  2.543267916460071E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  1.116104831423886E-004
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.607122265739901E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  8.364597701301893E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  5.011284296550657E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  2.587380862725720E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.143981574900197E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  1.079151833718870E-004
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.598088246473288E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  5.031491429599738E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.200182889958042E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.420982566794341E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  2.638457438846321E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  7.760863600217568E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.569496682084406E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.087350449470287E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  5.891764350010641E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  8.289838281939433E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.788459066784503E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  5.622650513698978E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  3.100510473846967E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  5.268652544469594E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.857264752418670E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  8.187286384508955E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  3.081730850235915E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  6.131796546863509E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  2.948485811303379E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  4.817008273896384E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  2.014216402154727E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  2.583188392000581E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  2.207430849406105E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.730791180520886E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.672296071661297E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  1.019572381382200E-004
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  2.500759119370302E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  1.116101744288793E-004
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.607122269869901E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  8.364536387957303E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  5.011289534125497E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  2.587380615009463E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.143982838953879E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  1.079151825545372E-004
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.598086517736708E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  5.031474138425270E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.200184125463791E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.420983011133262E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  2.638436993516683E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  7.760863634071673E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.569508826070862E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.087350480915413E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  5.891763963084134E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  8.289861137959003E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.788472901485869E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  5.622650332645809E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  3.100510897993587E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  5.268652631014312E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.857278446293923E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  8.187286679988765E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  3.081718501912344E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  6.131777830558617E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  2.948485440151120E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  4.817018677729846E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  2.014209062837785E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  2.583188266776801E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  2.207443216681899E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.730791429535471E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.672285982071187E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  1.019572432734351E-004
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  2.500750213792771E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  3.074852040883975E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.607044798469067E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.672685465849242E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  7.773782612635285E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.312382404806768E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  1.633244179507940E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  9.143242890284437E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.600383453503495E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.127949258060952E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  7.774540446992344E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  6.312761104504485E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  6.361929879868949E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.242492823401361E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.543619977504968E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  3.979875082250024E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.532880388482082E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.576320006934824E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  3.304235838126597E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  5.311012086346241E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  3.579647897946668E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  5.070271548967173E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.857479500908132E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.130525793767821E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  6.023755226336885E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  6.152722600206164E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  2.782830694902250E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  6.539353272258678E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.468839172654701E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  3.175513631923847E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.448511383654894E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.600178441563025E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.699596452129212E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  9.457984181714077E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  2.543253956860154E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.407570557200239E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.883504592252889E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.658603272652029E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.333714396413497E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.132292410082828E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  2.301217786446421E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  2.858968254837971E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  3.889600139822634E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.597252449751183E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  8.037911911787553E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  1.048369164428470E-004
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  2.980389561318369E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  8.156736549985572E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.072849205454045E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.601170687219206E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  8.563997322133260E-005
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  4.609095831381523E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.121246450632109E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  6.065487404937567E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.337170976542812E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  6.297163337661176E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.183323912311505E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.948489173522073E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  3.945553954296453E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.770474331231781E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  6.109004152147278E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  2.225729337798239E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.132838503325519E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  4.100076159468228E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.322551940320818E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.402003297259249E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  8.158680869348134E-006
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.676570236943682E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.063691646063619E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  3.148178461433071E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.407570978229026E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.883509152197629E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.658603143458165E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.333707131857077E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.132293426861513E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  2.301216963059252E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  2.858969403019004E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  3.889599193878115E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.597253860156663E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  8.037928726527514E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  1.048370179576015E-004
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  2.980389745870741E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  8.156708621767112E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.072849260496978E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.601159061529060E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  8.563997115069405E-005
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  4.609095718921170E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.121248366685258E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  6.065497035385618E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.337170955520425E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  6.297168982172022E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.183323761037042E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.948475651818283E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  3.945554062158174E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.770492611428899E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  6.109021397016620E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  2.225729267725562E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.132839519794621E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  4.100067872099128E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.322551995354686E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.402012539010949E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  8.158680783535968E-006
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.676579923710992E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.063691801780412E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  3.148185912673257E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  8.761667393000943E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  3.039285064772481E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.171007550159796E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.262509012326346E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.181393874555687E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.084775420005575E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.200089869683755E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.252606840553972E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  1.419135914668818E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.174213518800175E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.213660278793188E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.607739648039933E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.911187538715463E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.486342259852279E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.283713802100964E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.832978054246365E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  9.896317600145915E-006
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  2.916814867014328E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.571064654018947E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.126767654497981E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.101161641872413E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.215697017519873E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  4.756426547796143E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  3.936714141706520E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  2.824462477672618E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  3.048771887019041E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  9.638332640831742E-005
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  8.515632771991564E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.558926057799201E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  1.049092990539163E-005
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.583047735028962E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.269283703384589E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  1.000134034505368E-004
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.404058697549447E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  7.789132275885956E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.121906126122135E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  1.119122336762818E-005
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.396716461688528E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  1.075492329524597E-004
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  1.028434152064733E-004
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.855221973363885E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  6.194614200034363E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.180589210327255E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  1.220344434397620E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  5.782970780958489E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.063079872797202E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  7.192997028780974E-005
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.923789105699909E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  4.120477671129393E-006
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.082413965766066E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  9.863760723462892E-005
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.754315614007825E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  6.277578414745202E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.633257615569830E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  2.739338301855648E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.456136750321347E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  8.184379335871959E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.127708625634898E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.467311978527005E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  5.945121919608495E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  4.706884262111863E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.060455172272990E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.432449494417475E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.540496008723031E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  4.828855240837067E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  2.461943656375604E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  5.034637022022050E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  5.177346269181669E-006
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.390461130594083E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  6.991695462528344E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  5.051400172766837E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  8.954943410735101E-005
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  4.022320089895693E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.061776207250271E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  7.465954542162019E-006
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  9.142638970916344E-006
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  1.075487723761527E-004
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  1.028434360422189E-004
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.855210466796020E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  6.194614856080058E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.180589215469411E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  1.220344562929555E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  5.782969089283387E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.063079762286575E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  7.192998484698688E-005
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.923838021728349E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  4.120632085791153E-006
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.082414179068940E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  9.863760984090394E-005
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.754311105373323E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  6.277578693547235E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.634274584416369E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  2.739337722324238E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.456137015240636E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  8.184377356138852E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.127708655288037E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.467313603376703E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  5.945121494797340E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  4.706883929201590E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.060455152474371E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.432449569934945E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.540322326017451E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  4.828856133487559E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  2.461942730208358E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  5.034763687082046E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  5.177349740893627E-006
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.390433995288287E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  6.991671256012602E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  5.051400027176973E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  8.954950672993918E-005
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  4.022320149601255E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.048846311764809E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  7.465955346192494E-006
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  9.142404863183931E-006
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.31538572 p = -3227.31092019
                                d =  -843.02083826 f =   -22.83621542
       valence  contribution :  s =    -0.07288593 p =    -0.02211285
                                d =    -0.21377631 f =    -0.00235895
                                ns      0.00263699
     single particle energies  spin  up    
         core   contribution :  s = -6844.98259978 p = -3228.91893102
                                d =  -844.34583478 f =   -23.77081666
       valence  contribution :  s =    -0.09879609 p =    -0.02884888
                                d =    -0.66365059 f =    -0.00304699
                                ns      0.00503304
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21880.59934837
                                   band energy per atom :   -1.0978065569

     coulomb  contribution :   0  13793.65365257  1      0.01151808
                               2      0.00075800  3     -0.00164536
                               4      0.00310471  5      0.00017158
                               6     -0.00002295
     --------------------------------------------------------------------
     tot. coulomb contribution :  13793.66753663

     ex.-cor. contribution :   0   -674.15133375  1      0.00865462
                               2      0.00192417  3     -0.00838366
                               4     -0.00837043  5      0.00230433
                               6      0.00005323
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.15515148

     eff. pot. contribution     : -26879.62208676
     total double counting contribution                 : -13760.10970162

   Total contribution of atom  1 =-35640.70904999
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07870593 p =    -0.09105572
                                d =    -0.04012689 f =    -0.01215561
                                ns      0.03694947
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09852337 p =    -0.11408055
                                d =    -0.05349466 f =    -0.01835935
                                ns      0.04967928
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41987333
                                   band energy per atom :   -0.4198733259

     coulomb  contribution :   0     -0.12361533  1      0.00114526
                               2      0.00436606  3      0.00161996
                               4     -0.00028754  5      0.00031266
                               6      0.00002214
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11643680

     ex.-cor. contribution :   0     -0.69329924  1     -0.00062341
                               2      0.05210704  3      0.00963687
                               4      0.01886219  5      0.00385560
                               6      0.00047802
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60898293

     eff. pot. contribution     :     -0.46136684
     total double counting contribution                 :     -1.18678656

   Total contribution of atom  2 =    -1.60665989
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07862735 p =    -0.09095411
                                d =    -0.04009124 f =    -0.01214264
                                ns      0.03687082
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09842651 p =    -0.11393799
                                d =    -0.05343366 f =    -0.01833637
                                ns      0.04956436
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41951469
                                   band energy per atom :   -0.4195146853

     coulomb  contribution :   0     -0.12386183  1      0.00115580
                               2      0.00437552  3      0.00161434
                               4     -0.00027888  5      0.00031436
                               6      0.00002218
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11665852

     ex.-cor. contribution :   0     -0.69264027  1     -0.00063763
                               2      0.05204924  3      0.00962147
                               4      0.01880280  5      0.00384862
                               6      0.00047576
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60848001

     eff. pot. contribution     :     -0.46102033
     total double counting contribution                 :     -1.18615885

   Total contribution of atom  3 =    -1.60567354
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07862735 p =    -0.09095411
                                d =    -0.04009124 f =    -0.01214264
                                ns      0.03687082
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09842651 p =    -0.11393799
                                d =    -0.05343366 f =    -0.01833637
                                ns      0.04956436
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41951469
                                   band energy per atom :   -0.4195146893

     coulomb  contribution :   0     -0.12386183  1      0.00115580
                               2      0.00437552  3      0.00161434
                               4     -0.00027888  5      0.00031436
                               6      0.00002218
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11665852

     ex.-cor. contribution :   0     -0.69264027  1     -0.00063763
                               2      0.05204923  3      0.00962148
                               4      0.01880280  5      0.00384862
                               6      0.00047576
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60848001

     eff. pot. contribution     :     -0.46102032
     total double counting contribution                 :     -1.18615885

   Total contribution of atom  4 =    -1.60567354
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04919404 p =    -0.05975337
                                d =    -0.02739613 f =    -0.00860690
                                ns      0.00820982
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06175553 p =    -0.07303187
                                d =    -0.03430176 f =    -0.01143899
                                ns      0.01011763
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30715115
                                   band energy per atom :   -0.3071511494

     coulomb  contribution :   0     -0.08286681  1     -0.00050652
                               2     -0.00035012  3     -0.00002888
                               4     -0.00010113  5      0.00005359
                               6      0.00017745
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08362241

     ex.-cor. contribution :   0     -0.42799020  1     -0.00015882
                               2     -0.00033875  3     -0.00003937
                               4      0.01749304  5      0.00001446
                               6      0.00114698
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40987266

     eff. pot. contribution     :     -0.44333346
     total double counting contribution                 :     -0.93682853

   Total contribution of atom  5 =    -1.24397968
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04918956 p =    -0.05976767
                                d =    -0.02740472 f =    -0.00860594
                                ns      0.00821063
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06174150 p =    -0.07304182
                                d =    -0.03431178 f =    -0.01143886
                                ns      0.01011812
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30717311
                                   band energy per atom :   -0.3071731070

     coulomb  contribution :   0     -0.08275178  1     -0.00050408
                               2     -0.00035008  3     -0.00002812
                               4     -0.00010529  5      0.00005356
                               6      0.00017668
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08350911

     ex.-cor. contribution :   0     -0.42792552  1     -0.00016036
                               2     -0.00033432  3     -0.00003979
                               4      0.01749536  5      0.00001472
                               6      0.00114278
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40980714

     eff. pot. contribution     :     -0.44329788
     total double counting contribution                 :     -0.93661414

   Total contribution of atom  6 =    -1.24378724
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04918956 p =    -0.05976767
                                d =    -0.02740472 f =    -0.00860594
                                ns      0.00821063
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06174150 p =    -0.07304182
                                d =    -0.03431178 f =    -0.01143886
                                ns      0.01011812
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30717311
                                   band energy per atom :   -0.3071731092

     coulomb  contribution :   0     -0.08275178  1     -0.00050408
                               2     -0.00035008  3     -0.00002812
                               4     -0.00010529  5      0.00005356
                               6      0.00017668
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08350912

     ex.-cor. contribution :   0     -0.42792552  1     -0.00016036
                               2     -0.00033431  3     -0.00003980
                               4      0.01749535  5      0.00001472
                               6      0.00114278
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.40980714

     eff. pot. contribution     :     -0.44329788
     total double counting contribution                 :     -0.93661414

   Total contribution of atom  7 =    -1.24378725
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07254172 p =    -0.08483854
                                d =    -0.03502227 f =    -0.00921279
                                ns      0.01725199
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09032280 p =    -0.10575905
                                d =    -0.04625923 f =    -0.01336694
                                ns      0.02213600
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41793535
                                   band energy per atom :   -0.4179353524

     coulomb  contribution :   0     -0.11676506  1     -0.00084095
                               2     -0.00175178  3      0.00206806
                               4      0.00009006  5      0.00016840
                               6      0.00016213
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11686915

     ex.-cor. contribution :   0     -0.62314606  1      0.00241840
                               2      0.00371686  3      0.00051464
                               4      0.03025268  5      0.00095835
                               6      0.00053632
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58474881

     eff. pot. contribution     :     -0.44538609
     total double counting contribution                 :     -1.14700405

   Total contribution of atom  8 =    -1.56493940
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.56383411 p = -1089.77282613
                                d =  -190.75804317
       valence  contribution :  s =    -0.46540107 p =    -0.17348799
                                d =    -0.01486124 f =    -0.00441256
                                ns     -0.00282737
     single particle energies  spin  up    
         core   contribution :  s = -2636.09025612 p = -1090.95790282
                                d =  -192.07404525
       valence  contribution :  s =    -0.55985595 p =    -0.24032609
                                d =    -0.02015351 f =    -0.00592456
                                ns     -0.00330649
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.70746443
                                   band energy per atom :   -1.4905568374

     coulomb  contribution :   0   5105.05512046  1     -0.00017446
                               2      0.00044981  3      0.00129813
                               4     -0.00752566  5     -0.00000308
                               6      0.00008226
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.04924746

     ex.-cor. contribution :   0   -329.25349421  1     -0.00004271
                               2     -0.00033848  3      0.00351167
                               4     -0.01873578  5      0.00000613
                               6      0.00034762
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.26874575

     eff. pot. contribution     :  -9893.28608540
     total double counting contribution                 :  -5117.50558369

   Total contribution of atom  9 =-12954.21304812
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.56405404 p = -1089.77331240
                                d =  -190.75856404
       valence  contribution :  s =    -0.46535351 p =    -0.17342427
                                d =    -0.01486434 f =    -0.00441541
                                ns     -0.00282981
     single particle energies  spin  up    
         core   contribution :  s = -2636.09047572 p = -1090.95838834
                                d =  -192.07456480
       valence  contribution :  s =    -0.55981243 p =    -0.24023648
                                d =    -0.02015641 f =    -0.00592813
                                ns     -0.00331075
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.70969087
                                   band energy per atom :   -1.4903315262

     coulomb  contribution :   0   5105.03998261  1     -0.00017166
                               2      0.00044780  3      0.00130035
                               4     -0.00753633  5     -0.00000253
                               6      0.00008244
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.03410267

     ex.-cor. contribution :   0   -329.25305249  1     -0.00004350
                               2     -0.00034145  3      0.00351324
                               4     -0.01876152  5      0.00000688
                               6      0.00034805
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.26833079

     eff. pot. contribution     :  -9893.26819564
     total double counting contribution                 :  -5117.50242376

   Total contribution of atom 10 =-12954.21211463
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.56405403 p = -1089.77331240
                                d =  -190.75856405
       valence  contribution :  s =    -0.46535351 p =    -0.17342427
                                d =    -0.01486434 f =    -0.00441541
                                ns     -0.00282981
     single particle energies  spin  up    
         core   contribution :  s = -2636.09047575 p = -1090.95838835
                                d =  -192.07456481
       valence  contribution :  s =    -0.55981243 p =    -0.24023649
                                d =    -0.02015641 f =    -0.00592813
                                ns     -0.00331075
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.70969091
                                   band energy per atom :   -1.4903315290

     coulomb  contribution :   0   5105.03998282  1     -0.00017166
                               2      0.00044780  3      0.00130035
                               4     -0.00753633  5     -0.00000253
                               6      0.00008244
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.03410289

     ex.-cor. contribution :   0   -329.25305250  1     -0.00004350
                               2     -0.00034143  3      0.00351028
                               4     -0.01875881  5      0.00000688
                               6      0.00034805
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.26833103

     eff. pot. contribution     :  -9893.26819583
     total double counting contribution                 :  -5117.50242397

   Total contribution of atom 11 =-12954.21211488
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08867150 p =    -0.10922288
                                d =    -0.05034533 f =    -0.01508583
                                ns      0.05168340
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10662900 p =    -0.12855027
                                d =    -0.06034441 f =    -0.01911247
                                ns      0.06275590
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46352238
                                   band energy per atom :   -0.4635223788

     coulomb  contribution :   0     -0.17140601  1     -0.00106899
                               2      0.00017661  3      0.00177578
                               4      0.00190709  5      0.00056100
                               6      0.00003226
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.16802226

     ex.-cor. contribution :   0     -0.67608803  1     -0.00115369
                               2      0.05148066  3      0.00916214
                               4      0.01961092  5      0.00411826
                               6      0.00026688
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.59260285

     eff. pot. contribution     :     -0.39642596
     total double counting contribution                 :     -1.15705107

   Total contribution of atom 12 =    -1.62057345
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75894245 p = -1151.21311517
                                d =  -209.68665400
       valence  contribution :  s =    -0.61493938 p =    -0.23427598
                                d =    -0.01387367 f =    -0.00364817
                                ns      0.00129860
     single particle energies  spin  up    
         core   contribution :  s = -2756.28631558 p = -1152.40074033
                                d =  -211.00692758
       valence  contribution :  s =    -0.71097511 p =    -0.33765912
                                d =    -0.01495928 f =    -0.00374464
                                ns      0.00119732
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28427455
                                   band energy per atom :   -1.9315794392

     coulomb  contribution :   0   5305.89879288  1      0.00111608
                               2     -0.00088924  3     -0.00382166
                               4     -0.00510909  5      0.00054212
                               6     -0.00000210
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.89062899

     ex.-cor. contribution :   0   -339.85228517  1      0.01203355
                               2     -0.00322129  3     -0.01487774
                               4     -0.01429064  5      0.00224919
                               6     -0.00000479
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87039689

     eff. pot. contribution     : -10308.17315369
     total double counting contribution                 :  -5342.15292158

   Total contribution of atom 13 =-13580.43719613
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75909686 p = -1151.21346421
                                d =  -209.68704404
       valence  contribution :  s =    -0.61494458 p =    -0.23431577
                                d =    -0.01387155 f =    -0.00364801
                                ns      0.00129643
     single particle energies  spin  up    
         core   contribution :  s = -2756.28646983 p = -1152.40108907
                                d =  -211.00731712
       valence  contribution :  s =    -0.71097992 p =    -0.33770488
                                d =    -0.01495708 f =    -0.00374428
                                ns      0.00119461
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28615617
                                   band energy per atom :   -1.9316750423

     coulomb  contribution :   0   5305.90351955  1      0.00112525
                               2     -0.00089281  3     -0.00382001
                               4     -0.00511147  5      0.00054270
                               6     -0.00000209
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.89536114

     ex.-cor. contribution :   0   -339.85240143  1      0.01203227
                               2     -0.00322969  3     -0.01485009
                               4     -0.01428035  5      0.00225009
                               6     -0.00000466
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87048386

     eff. pot. contribution     : -10308.17581120
     total double counting contribution                 :  -5342.15093392

   Total contribution of atom 14 =-13580.43709010
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75909682 p = -1151.21346421
                                d =  -209.68704404
       valence  contribution :  s =    -0.61494458 p =    -0.23431577
                                d =    -0.01387155 f =    -0.00364801
                                ns      0.00129643
     single particle energies  spin  up    
         core   contribution :  s = -2756.28646988 p = -1152.40108907
                                d =  -211.00731711
       valence  contribution :  s =    -0.71097992 p =    -0.33770488
                                d =    -0.01495708 f =    -0.00374428
                                ns      0.00119461
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28615617
                                   band energy per atom :   -1.9316750423

     coulomb  contribution :   0   5305.90351964  1      0.00112525
                               2     -0.00089281  3     -0.00382001
                               4     -0.00511147  5      0.00054270
                               6     -0.00000209
     --------------------------------------------------------------------
     tot. coulomb contribution :   5305.89536122

     ex.-cor. contribution :   0   -339.85240148  1      0.01203227
                               2     -0.00322973  3     -0.01485928
                               4     -0.01427261  5      0.00225009
                               6     -0.00000466
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87048540

     eff. pot. contribution     : -10308.17581129
     total double counting contribution                 :  -5342.15093546

   Total contribution of atom 15 =-13580.43709164
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75705100 p = -1151.21065063
                                d =  -209.68754656
       valence  contribution :  s =    -0.61777983 p =    -0.23723654
                                d =    -0.01367185 f =    -0.00355568
                                ns     -0.00002946
     single particle energies  spin  up    
         core   contribution :  s = -2756.28424155 p = -1152.39777984
                                d =  -211.00688680
       valence  contribution :  s =    -0.71297563 p =    -0.34032191
                                d =    -0.01508535 f =    -0.00384421
                                ns      0.00016077
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28849607
                                   band energy per atom :   -1.9443396864

     coulomb  contribution :   0   5307.11438680  1      0.00138185
                               2     -0.00107475  3     -0.00376115
                               4     -0.00490628  5      0.00047027
                               6     -0.00001402
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.10648271

     ex.-cor. contribution :   0   -339.88529918  1      0.01198846
                               2     -0.00393882  3     -0.01369072
                               4     -0.01402171  5      0.00204538
                               6     -0.00003540
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90295200

     eff. pot. contribution     : -10309.39548142
     total double counting contribution                 :  -5342.19195070

   Total contribution of atom 16 =-13580.48044677
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75689875 p = -1151.21030224
                                d =  -209.68714953
       valence  contribution :  s =    -0.61772252 p =    -0.23722923
                                d =    -0.01367153 f =    -0.00355534
                                ns     -0.00003362
     single particle energies  spin  up    
         core   contribution :  s = -2756.28408891 p = -1152.39743042
                                d =  -211.00648786
       valence  contribution :  s =    -0.71291007 p =    -0.34030071
                                d =    -0.01508588 f =    -0.00384410
                                ns      0.00015513
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28655559
                                   band energy per atom :   -1.9441978767

     coulomb  contribution :   0   5307.10192679  1      0.00137164
                               2     -0.00107529  3     -0.00376443
                               4     -0.00490705  5      0.00046984
                               6     -0.00001395
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.09400755

     ex.-cor. contribution :   0   -339.88502578  1      0.01198655
                               2     -0.00393025  3     -0.01370034
                               4     -0.01402301  5      0.00204585
                               6     -0.00003530
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90268227

     eff. pot. contribution     : -10309.38525405
     total double counting contribution                 :  -5342.19392877

   Total contribution of atom 17 =-13580.48048436
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75689872 p = -1151.21030225
                                d =  -209.68714953
       valence  contribution :  s =    -0.61772252 p =    -0.23722923
                                d =    -0.01367153 f =    -0.00355534
                                ns     -0.00003362
     single particle energies  spin  up    
         core   contribution :  s = -2756.28408894 p = -1152.39743042
                                d =  -211.00648786
       valence  contribution :  s =    -0.71291007 p =    -0.34030071
                                d =    -0.01508588 f =    -0.00384410
                                ns      0.00015513
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28655560
                                   band energy per atom :   -1.9441978780

     coulomb  contribution :   0   5307.10192690  1      0.00137164
                               2     -0.00107529  3     -0.00376443
                               4     -0.00490705  5      0.00046984
                               6     -0.00001395
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.09400766

     ex.-cor. contribution :   0   -339.88502579  1      0.01198655
                               2     -0.00393025  3     -0.01369938
                               4     -0.01402380  5      0.00204585
                               6     -0.00003530
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90268210

     eff. pot. contribution     : -10309.38525415
     total double counting contribution                 :  -5342.19392860

   Total contribution of atom 18 =-13580.48048421
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75705102 p = -1151.21065062
                                d =  -209.68754655
       valence  contribution :  s =    -0.61777983 p =    -0.23723654
                                d =    -0.01367185 f =    -0.00355568
                                ns     -0.00002946
     single particle energies  spin  up    
         core   contribution :  s = -2756.28424155 p = -1152.39777984
                                d =  -211.00688679
       valence  contribution :  s =    -0.71297563 p =    -0.34032191
                                d =    -0.01508535 f =    -0.00384421
                                ns      0.00016077
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28849607
                                   band energy per atom :   -1.9443396863

     coulomb  contribution :   0   5307.11438695  1      0.00138185
                               2     -0.00107475  3     -0.00376115
                               4     -0.00490628  5      0.00047027
                               6     -0.00001402
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.10648286

     ex.-cor. contribution :   0   -339.88529920  1      0.01198846
                               2     -0.00393878  3     -0.01368733
                               4     -0.01402223  5      0.00204538
                               6     -0.00003540
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90294911

     eff. pot. contribution     : -10309.39548159
     total double counting contribution                 :  -5342.19194784

   Total contribution of atom 19 =-13580.48044390
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75700801 p = -1151.21055353
                                d =  -209.68743854
       valence  contribution :  s =    -0.61775912 p =    -0.23731114
                                d =    -0.01366979 f =    -0.00355450
                                ns     -0.00002794
     single particle energies  spin  up    
         core   contribution :  s = -2756.28419865 p = -1152.39768301
                                d =  -211.00677929
       valence  contribution :  s =    -0.71294859 p =    -0.34039351
                                d =    -0.01508366 f =    -0.00384288
                                ns      0.00016055
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28809160
                                   band energy per atom :   -1.9444305733

     coulomb  contribution :   0   5307.11336357  1      0.00136344
                               2     -0.00106645  3     -0.00376005
                               4     -0.00490910  5      0.00046992
                               6     -0.00001387
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.10544746

     ex.-cor. contribution :   0   -339.88535658  1      0.01198195
                               2     -0.00391739  3     -0.01367580
                               4     -0.01404157  5      0.00204615
                               6     -0.00003524
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90299850

     eff. pot. contribution     : -10309.39506323
     total double counting contribution                 :  -5342.19261427

   Total contribution of atom 20 =-13580.48070587
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.75700798 p = -1151.21055354
                                d =  -209.68743855
       valence  contribution :  s =    -0.61775912 p =    -0.23731114
                                d =    -0.01366979 f =    -0.00355450
                                ns     -0.00002794
     single particle energies  spin  up    
         core   contribution :  s = -2756.28419867 p = -1152.39768301
                                d =  -211.00677929
       valence  contribution :  s =    -0.71294859 p =    -0.34039351
                                d =    -0.01508366 f =    -0.00384288
                                ns      0.00016055
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.28809161
                                   band energy per atom :   -1.9444305747

     coulomb  contribution :   0   5307.11336350  1      0.00136344
                               2     -0.00106645  3     -0.00376005
                               4     -0.00490910  5      0.00046992
                               6     -0.00001387
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.10544739

     ex.-cor. contribution :   0   -339.88535657  1      0.01198195
                               2     -0.00391741  3     -0.01367908
                               4     -0.01404090  5      0.00204615
                               6     -0.00003524
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90300110

     eff. pot. contribution     : -10309.39506312
     total double counting contribution                 :  -5342.19261684

   Total contribution of atom 21 =-13580.48070844
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71388480 p = -1151.11011042
                                d =  -209.56422342
       valence  contribution :  s =    -0.60085380 p =    -0.21810616
                                d =    -0.01194277 f =    -0.00321648
                                ns     -0.00934352
     single particle energies  spin  up    
         core   contribution :  s = -2756.24112119 p = -1152.29739941
                                d =  -210.88490796
       valence  contribution :  s =    -0.69978133 p =    -0.32553878
                                d =    -0.01335276 f =    -0.00352750
                                ns     -0.00996474
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.70727504
                                   band energy per atom :   -1.8956278434

     coulomb  contribution :   0   5318.99237681  1      0.00002163
                               2     -0.00284031  3     -0.00000279
                               4     -0.00602565  5      0.00000092
                               6      0.00000466
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.98353526

     ex.-cor. contribution :   0   -339.91065298  1     -0.00002002
                               2     -0.00982641  3     -0.00056358
                               4     -0.04253547  5     -0.00000022
                               6      0.00016227
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.96343641

     eff. pot. contribution     : -10321.94827845
     total double counting contribution                 :  -5342.92817960

   Total contribution of atom 22 =-13580.63545464
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71381629 p = -1151.10995737
                                d =  -209.56405605
       valence  contribution :  s =    -0.60084114 p =    -0.21809416
                                d =    -0.01194219 f =    -0.00321594
                                ns     -0.00934456
     single particle energies  spin  up    
         core   contribution :  s = -2756.24105253 p = -1152.29724569
                                d =  -210.88473933
       valence  contribution :  s =    -0.69976785 p =    -0.32551681
                                d =    -0.01335326 f =    -0.00352745
                                ns     -0.00996505
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.70643564
                                   band energy per atom :   -1.8955683944

     coulomb  contribution :   0   5318.99028505  1      0.00002159
                               2     -0.00283917  3     -0.00000280
                               4     -0.00602519  5      0.00000091
                               6      0.00000464
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.98144502

     ex.-cor. contribution :   0   -339.91060508  1     -0.00002004
                               2     -0.00982731  3     -0.00058986
                               4     -0.04245671  5     -0.00000022
                               6      0.00016235
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.96333688

     eff. pot. contribution     : -10321.94710170
     total double counting contribution                 :  -5342.92899357

   Total contribution of atom 23 =-13580.63542921
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.71381632 p = -1151.10995737
                                d =  -209.56405606
       valence  contribution :  s =    -0.60084114 p =    -0.21809416
                                d =    -0.01194219 f =    -0.00321594
                                ns     -0.00934456
     single particle energies  spin  up    
         core   contribution :  s = -2756.24105245 p = -1152.29724569
                                d =  -210.88473933
       valence  contribution :  s =    -0.69976785 p =    -0.32551681
                                d =    -0.01335326 f =    -0.00352745
                                ns     -0.00996505
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.70643561
                                   band energy per atom :   -1.8955683954

     coulomb  contribution :   0   5318.99028503  1      0.00002159
                               2     -0.00283917  3     -0.00000280
                               4     -0.00602519  5      0.00000091
                               6      0.00000464
     --------------------------------------------------------------------
     tot. coulomb contribution :   5318.98144501

     ex.-cor. contribution :   0   -339.91060506  1     -0.00002004
                               2     -0.00982709  3     -0.00058908
                               4     -0.04245767  5     -0.00000022
                               6      0.00016235
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.96333682

     eff. pot. contribution     : -10321.94710168
     total double counting contribution                 :  -5342.92899349

   Total contribution of atom 24 =-13580.63542911
                                   sum of band energies :  -31.7785146793
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.18236599
                                eV  : -3231121.47103512
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:31:31:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           17
25.03.2020 20:31:31:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   5.391025717574056E-010 -6.877610801178365E-006
  0.863093965259286     
 magnetic moment2 is   5.391018266123575E-010 -6.877610803480974E-006
 -7.725534964262087E-002
 magnetic moment is   2.086960595656939E-011 -3.958629377307787E-003
  4.410858887212710E-002
 magnetic moment2 is   2.086960595656939E-011 -3.958629377307787E-003
 -1.415556711624710E-002
 magnetic moment is  -3.424907379173973E-003  1.982326093576979E-003
  4.410070375531983E-002
 magnetic moment2 is  -3.424907379173973E-003  1.982326093576979E-003
 -1.418267455895303E-002
 magnetic moment is   3.424907451809808E-003  1.982325946851284E-003
  4.410070325987192E-002
 magnetic moment2 is   3.424907451809808E-003  1.982325946851284E-003
 -1.418267536177564E-002
 magnetic moment is  -3.211340427518999E-011  9.600451184768319E-004
  4.561179734071763E-002
 magnetic moment2 is  -3.211340427518999E-011  9.600451184768319E-004
 -1.990973248727061E-002
 magnetic moment is   8.423410873334041E-004 -4.901177108873558E-004
  4.556161553869170E-002
 magnetic moment2 is   8.423410873334041E-004 -4.901177108873558E-004
 -1.994771656317064E-002
 magnetic moment is  -8.423408383067775E-004 -4.901174998196070E-004
  4.556161606949038E-002
 magnetic moment2 is  -8.423408383067775E-004 -4.901174998196070E-004
 -1.994771629389944E-002
 magnetic moment is  -3.471953800001715E-011 -7.576442477735711E-007
  4.308294308330451E-002
 magnetic moment2 is  -3.471953800001715E-011 -7.576442477735711E-007
 -2.233616934988308E-002
 magnetic moment is  -6.313874510027739E-011 -2.465063346078697E-003
  0.141427264865911     
 magnetic moment2 is  -6.315800746975464E-011 -2.470163413633752E-003
 -0.117271942008908     
 magnetic moment is  -2.139887613404778E-003  1.230493774590168E-003
  0.141414742042430     
 magnetic moment2 is  -2.144305026558409E-003  1.233038461466919E-003
 -0.117288389555590     
 magnetic moment is   2.139888437940998E-003  1.230494001352826E-003
  0.141414741094147     
 magnetic moment2 is   2.144305851357578E-003  1.233038688070937E-003
 -0.117288390689624     
 magnetic moment is   4.297552704850122E-012  8.461098833391492E-007
  5.115938636349959E-002
 magnetic moment2 is   4.297552704850122E-012  8.461098833391492E-007
 -1.370963579152665E-002
 magnetic moment is   8.978246466596895E-011  9.812805446881220E-004
  0.263118363545606     
 magnetic moment2 is   8.978185447698628E-011  9.831438392891912E-004
  1.624745900908206E-002
 magnetic moment is   8.512153190917338E-004 -4.928285757433655E-004
  0.263075920323837     
 magnetic moment2 is   8.528384989062928E-004 -4.937691024649080E-004
  1.621095303457525E-002
 magnetic moment is  -8.512151997261509E-004 -4.928285622725056E-004
  0.263075919384626     
 magnetic moment2 is  -8.528383799116006E-004 -4.937690889543679E-004
  1.621095213797803E-002
 magnetic moment is   8.146525854339022E-005  1.380252532912747E-003
  0.235524532187977     
 magnetic moment2 is   8.134826890627070E-005  1.380443721225335E-003
 -8.721062851647782E-003
 magnetic moment is   1.239385353832564E-003 -6.146757632766837E-004
  0.235463144015021     
 magnetic moment2 is   1.239491036335263E-003 -6.148704557937805E-004
 -8.783797195860310E-003
 magnetic moment is  -1.239385242555700E-003 -6.146757120677240E-004
  0.235463144339534     
 magnetic moment2 is  -1.239490925084609E-003 -6.148704045702622E-004
 -8.783796889968887E-003
 magnetic moment is  -8.146483257718000E-005  1.380252629893870E-003
  0.235524530034727     
 magnetic moment2 is  -8.134784297794532E-005  1.380443818210179E-003
 -8.721064811956808E-003
 magnetic moment is   1.151089183638260E-003 -7.601757926216138E-004
  0.235509892388334     
 magnetic moment2 is   1.151310651152709E-003 -7.601715724655422E-004
 -8.737016669732242E-003
 magnetic moment is  -1.151088903421080E-003 -7.601760066387445E-004
  0.235509894960262     
 magnetic moment2 is  -1.151310370949084E-003 -7.601717864840075E-004
 -8.737014311484409E-003
 magnetic moment is  -1.272483203876296E-010 -3.819049798482311E-004
  0.241345951540539     
 magnetic moment2 is  -1.272956978406103E-010 -3.821944417394311E-004
 -2.033682873521621E-002
 magnetic moment is  -3.275476413498949E-004  1.925746837526105E-004
  0.241355004681678     
 magnetic moment2 is  -3.275493610871747E-004  1.925757459580282E-004
 -2.032670535284778E-002
 magnetic moment is   3.275476230833785E-004  1.925747689626675E-004
  0.241355007345543     
 magnetic moment2 is   3.275493428186799E-004  1.925758311683712E-004
 -2.032670288579320E-002
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.34686013  0.37836826    0.0315
          p =  0.09720461  0.11349303    0.0163
          d =  3.24917655  4.06115395    0.8120
          f =  0.00926107  0.00988842    0.0006
          ns  -0.01999060 -0.01729794    0.0027
          ------------------------------------
          TOT  3.68251176  4.54560572    0.8631
                           8.22811748
   ========================== 
      2   s =  0.24256534  0.25930469    0.0167
          p =  0.31166918  0.33114710    0.0195
          d =  0.16342680  0.17700574    0.0136
          f =  0.05905373  0.06850417    0.0095
          ns  -0.11460104 -0.12973909   -0.0151
          ------------------------------------
          TOT  0.66211402  0.70622261    0.0441
                           1.36833663
   ========================== 
      3   s =  0.24245047  0.25922065    0.0168
          p =  0.31138093  0.33086270    0.0195
          d =  0.16327032  0.17680462    0.0135
          f =  0.05900104  0.06842640    0.0094
          ns  -0.11436349 -0.12947440   -0.0151
          ------------------------------------
          TOT  0.66173927  0.70583997    0.0441
                           1.36757924
   ========================== 
      4   s =  0.24245047  0.25922065    0.0168
          p =  0.31138093  0.33086270    0.0195
          d =  0.16327032  0.17680462    0.0135
          f =  0.05900104  0.06842640    0.0094
          ns  -0.11436349 -0.12947440   -0.0151
          ------------------------------------
          TOT  0.66173927  0.70583997    0.0441
                           1.36757924
   ========================== 
      5   s =  0.16065010  0.17820698    0.0176
          p =  0.21137460  0.22790504    0.0165
          d =  0.10863801  0.11835400    0.0097
          f =  0.03681734  0.04177712    0.0050
          ns  -0.02407991 -0.02723120   -0.0032
          ------------------------------------
          TOT  0.49340014  0.53901194    0.0456
                           1.03241208
   ========================== 
      6   s =  0.16057239  0.17811069    0.0175
          p =  0.21135629  0.22786020    0.0165
          d =  0.10867456  0.11838150    0.0097
          f =  0.03682774  0.04178869    0.0050
          ns  -0.02407842 -0.02722691   -0.0031
          ------------------------------------
          TOT  0.49335255  0.53891417    0.0456
                           1.03226672
   ========================== 
      7   s =  0.16057239  0.17811069    0.0175
          p =  0.21135629  0.22786020    0.0165
          d =  0.10867456  0.11838150    0.0097
          f =  0.03682774  0.04178869    0.0050
          ns  -0.02407842 -0.02722691   -0.0031
          ------------------------------------
          TOT  0.49335255  0.53891417    0.0456
                           1.03226673
   ========================== 
      8   s =  0.21376088  0.23015722    0.0164
          p =  0.28693168  0.30409218    0.0172
          d =  0.14496172  0.15619614    0.0112
          f =  0.04098219  0.04767822    0.0067
          ns  -0.04316579 -0.05157014   -0.0084
          ------------------------------------
          TOT  0.64347068  0.68655362    0.0431
                           1.33002430
   ========================== 
      9   s =  0.80893797  0.85269557    0.0438
          p =  0.81381306  0.90457784    0.0908
          d =  0.08758140  0.09222377    0.0046
          f =  0.02072985  0.02239315    0.0017
          ns   0.01051927  0.01111849    0.0006
          ------------------------------------
          TOT  1.74158155  1.88300881    0.1414
                           3.62459036
   ========================== 
     10   s =  0.80897327  0.85271165    0.0437
          p =  0.81350654  0.90427160    0.0908
          d =  0.08758385  0.09223147    0.0046
          f =  0.02074040  0.02240414    0.0017
          ns   0.01053951  0.01113945    0.0006
          ------------------------------------
          TOT  1.74134356  1.88275830    0.1414
                           3.62410187
   ========================== 
     11   s =  0.80897327  0.85271165    0.0437
          p =  0.81350655  0.90427160    0.0908
          d =  0.08758385  0.09223147    0.0046
          f =  0.02074040  0.02240414    0.0017
          ns   0.01053951  0.01113945    0.0006
          ------------------------------------
          TOT  1.74134357  1.88275831    0.1414
                           3.62410187
   ========================== 
     12   s =  0.23498444  0.25615532    0.0212
          p =  0.31300052  0.33546019    0.0225
          d =  0.16094344  0.17591102    0.0150
          f =  0.05173287  0.05946668    0.0077
          ns  -0.11432376 -0.12949632   -0.0152
          ------------------------------------
          TOT  0.64633751  0.69749689    0.0512
                           1.34383440
   ========================== 
     13   s =  0.84615577  0.86466310    0.0185
          p =  1.25915120  1.50395000    0.2448
          d =  0.05056746  0.05161778    0.0011
          f =  0.01194117  0.01212039    0.0002
          ns   0.00263363  0.00121632   -0.0014
          ------------------------------------
          TOT  2.17044923  2.43356759    0.2631
                           4.60401681
   ========================== 
     14   s =  0.84613452  0.86465043    0.0185
          p =  1.25923785  1.50398633    0.2447
          d =  0.05056903  0.05161966    0.0011
          f =  0.01194150  0.01211997    0.0002
          ns   0.00264510  0.00122751   -0.0014
          ------------------------------------
          TOT  2.17052800  2.43360392    0.2631
                           4.60413191
   ========================== 
     15   s =  0.84613452  0.86465043    0.0185
          p =  1.25923785  1.50398633    0.2447
          d =  0.05056903  0.05161966    0.0011
          f =  0.01194150  0.01211997    0.0002
          ns   0.00264510  0.00122751   -0.0014
          ------------------------------------
          TOT  2.17052800  2.43360392    0.2631
                           4.60413191
   ========================== 
     16   s =  0.84777438  0.86552002    0.0177
          p =  1.28569716  1.50285189    0.2172
          d =  0.05061185  0.05203797    0.0014
          f =  0.01187934  0.01227593    0.0004
          ns   0.00421589  0.00301733   -0.0012
          ------------------------------------
          TOT  2.20017861  2.43570314    0.2355
                           4.63588175
   ========================== 
     17   s =  0.84774098  0.86548835    0.0177
          p =  1.28564814  1.50273534    0.2171
          d =  0.05061893  0.05204564    0.0014
          f =  0.01187717  0.01227441    0.0004
          ns   0.00422848  0.00303310   -0.0012
          ------------------------------------
          TOT  2.20011370  2.43557684    0.2355
                           4.63569055
   ========================== 
     18   s =  0.84774098  0.86548835    0.0177
          p =  1.28564814  1.50273534    0.2171
          d =  0.05061893  0.05204564    0.0014
          f =  0.01187717  0.01227441    0.0004
          ns   0.00422848  0.00303311   -0.0012
          ------------------------------------
          TOT  2.20011370  2.43557685    0.2355
                           4.63569055
   ========================== 
     19   s =  0.84777438  0.86552002    0.0177
          p =  1.28569716  1.50285190    0.2172
          d =  0.05061185  0.05203797    0.0014
          f =  0.01187934  0.01227593    0.0004
          ns   0.00421589  0.00301733   -0.0012
          ------------------------------------
          TOT  2.20017861  2.43570314    0.2355
                           4.63588175
   ========================== 
     20   s =  0.84773118  0.86548627    0.0178
          p =  1.28579125  1.50291651    0.2171
          d =  0.05062109  0.05205110    0.0014
          f =  0.01187823  0.01227396    0.0004
          ns   0.00421924  0.00302304   -0.0012
          ------------------------------------
          TOT  2.20024099  2.43575088    0.2355
                           4.63599187
   ========================== 
     21   s =  0.84773118  0.86548627    0.0178
          p =  1.28579125  1.50291651    0.2171
          d =  0.05062109  0.05205110    0.0014
          f =  0.01187823  0.01227396    0.0004
          ns   0.00421924  0.00302304   -0.0012
          ------------------------------------
          TOT  2.20024098  2.43575088    0.2355
                           4.63599186
   ========================== 
     22   s =  0.83881801  0.85921279    0.0204
          p =  1.31725037  1.53745337    0.2202
          d =  0.04831020  0.05086217    0.0026
          f =  0.01222816  0.01250307    0.0003
          ns   0.02406967  0.02199096   -0.0021
          ------------------------------------
          TOT  2.24067642  2.48202237    0.2413
                           4.72269879
   ========================== 
     23   s =  0.83881951  0.85921602    0.0204
          p =  1.31722279  1.53743140    0.2202
          d =  0.04831114  0.05086343    0.0026
          f =  0.01222741  0.01250504    0.0003
          ns   0.02407144  0.02199141   -0.0021
          ------------------------------------
          TOT  2.24065230  2.48200730    0.2414
                           4.72265960
   ========================== 
     24   s =  0.83881951  0.85921602    0.0204
          p =  1.31722279  1.53743140    0.2202
          d =  0.04831114  0.05086343    0.0026
          f =  0.01222741  0.01250504    0.0003
          ns   0.02407144  0.02199141   -0.0021
          ------------------------------------
          TOT  2.24065230  2.48200730    0.2414
                           4.72265960
 
############################################
 
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.228115
       spin moment in wigner seitz cell =    0.863094
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -0.771885
                              spin magnetic moment =     0.863094
 
  Atom    2 charge in wigner seitz cell =    1.368334
       spin moment in wigner seitz cell =    0.044108
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.368334
                              spin magnetic moment =     0.044108
 
  Atom    3 charge in wigner seitz cell =    1.367577
       spin moment in wigner seitz cell =    0.044101
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.367577
                              spin magnetic moment =     0.044101
 
  Atom    4 charge in wigner seitz cell =    1.367577
       spin moment in wigner seitz cell =    0.044101
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.367577
                              spin magnetic moment =     0.044101
 
  Atom    5 charge in wigner seitz cell =    1.032411
       spin moment in wigner seitz cell =    0.045612
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.032411
                              spin magnetic moment =     0.045612
 
  Atom    6 charge in wigner seitz cell =    1.032266
       spin moment in wigner seitz cell =    0.045562
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.032266
                              spin magnetic moment =     0.045562
 
  Atom    7 charge in wigner seitz cell =    1.032266
       spin moment in wigner seitz cell =    0.045562
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.032266
                              spin magnetic moment =     0.045562
 
  Atom    8 charge in wigner seitz cell =    1.330021
       spin moment in wigner seitz cell =    0.043083
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.330021
                              spin magnetic moment =     0.043083
 
  Atom    9 charge in wigner seitz cell =   49.624588
       spin moment in wigner seitz cell =    0.141427
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.375412
                              spin magnetic moment =     0.141427
 
  Atom   10 charge in wigner seitz cell =   49.624099
       spin moment in wigner seitz cell =    0.141415
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.375901
                              spin magnetic moment =     0.141415
 
  Atom   11 charge in wigner seitz cell =   49.624099
       spin moment in wigner seitz cell =    0.141415
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.375901
                              spin magnetic moment =     0.141415
 
  Atom   12 charge in wigner seitz cell =    1.343832
       spin moment in wigner seitz cell =    0.051159
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =     1.343832
                              spin magnetic moment =     0.051159
 
  Atom   13 charge in wigner seitz cell =   50.604014
       spin moment in wigner seitz cell =    0.263118
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.395986
                              spin magnetic moment =     0.263118
 
  Atom   14 charge in wigner seitz cell =   50.604129
       spin moment in wigner seitz cell =    0.263076
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.395871
                              spin magnetic moment =     0.263076
 
  Atom   15 charge in wigner seitz cell =   50.604129
       spin moment in wigner seitz cell =    0.263076
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.395871
                              spin magnetic moment =     0.263076
 
  Atom   16 charge in wigner seitz cell =   50.635879
       spin moment in wigner seitz cell =    0.235525
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.364121
                              spin magnetic moment =     0.235525
 
  Atom   17 charge in wigner seitz cell =   50.635688
       spin moment in wigner seitz cell =    0.235463
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.364312
                              spin magnetic moment =     0.235463
 
  Atom   18 charge in wigner seitz cell =   50.635688
       spin moment in wigner seitz cell =    0.235463
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.364312
                              spin magnetic moment =     0.235463
 
  Atom   19 charge in wigner seitz cell =   50.635879
       spin moment in wigner seitz cell =    0.235525
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.364121
                              spin magnetic moment =     0.235525
 
  Atom   20 charge in wigner seitz cell =   50.635989
       spin moment in wigner seitz cell =    0.235510
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.364011
                              spin magnetic moment =     0.235510
 
  Atom   21 charge in wigner seitz cell =   50.635989
       spin moment in wigner seitz cell =    0.235510
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.364011
                              spin magnetic moment =     0.235510
 
  Atom   22 charge in wigner seitz cell =   50.722697
       spin moment in wigner seitz cell =    0.241346
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.277303
                              spin magnetic moment =     0.241346
 
  Atom   23 charge in wigner seitz cell =   50.722658
       spin moment in wigner seitz cell =    0.241355
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.277342
                              spin magnetic moment =     0.241355
 
  Atom   24 charge in wigner seitz cell =   50.722658
       spin moment in wigner seitz cell =    0.241355
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  17 charge neutrality in unit cell =    -1.277342
                              spin magnetic moment =     0.241355
 
                    TOTAL mag. moment in unit cell =     4.576958
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:35:05:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:05:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  1.0206D-01  ,  v+ - v- =  2.7427D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.5589D-01  ,  v+ - v- =  2.8075D-03
      rms-error for atom  2 :v+ + v- =  1.5881D-02  ,  v+ - v- =  3.3169D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.4194D-02  ,  v+ - v- =  9.9940D-04
      rms-error for atom  3 :v+ + v- =  1.6084D-02  ,  v+ - v- =  3.3167D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.4807D-02  ,  v+ - v- =  1.0024D-03
      rms-error for atom  4 :v+ + v- =  1.6084D-02  ,  v+ - v- =  3.3167D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.4807D-02  ,  v+ - v- =  1.0024D-03
      rms-error for atom  5 :v+ + v- =  3.2040D-02  ,  v+ - v- =  3.9109D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.3490D-02  ,  v+ - v- =  5.7063D-04
      rms-error for atom  6 :v+ + v- =  3.1931D-02  ,  v+ - v- =  3.9110D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.3917D-02  ,  v+ - v- =  5.7409D-04
      rms-error for atom  7 :v+ + v- =  3.1931D-02  ,  v+ - v- =  3.9110D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.3917D-02  ,  v+ - v- =  5.7409D-04
      rms-error for atom  8 :v+ + v- =  1.2691D-02  ,  v+ - v- =  3.6321D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  1.0609D-02  ,  v+ - v- =  7.3626D-04
      rms-error for atom  9 :v+ + v- =  1.9545D-02  ,  v+ - v- =  3.8984D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  1.0108D-02  ,  v+ - v- =  5.9999D-04
      rms-error for atom 10 :v+ + v- =  1.9640D-02  ,  v+ - v- =  3.8984D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  1.0304D-02  ,  v+ - v- =  6.0059D-04
      rms-error for atom 11 :v+ + v- =  1.9640D-02  ,  v+ - v- =  3.8984D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  1.0304D-02  ,  v+ - v- =  6.0059D-04
      rms-error for atom 12 :v+ + v- =  3.8070D-02  ,  v+ - v- =  3.2877D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.6034D-02  ,  v+ - v- =  7.5734D-04
      rms-error for atom 13 :v+ + v- =  2.9004D-02  ,  v+ - v- =  3.1934D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  1.5261D-02  ,  v+ - v- =  6.0987D-04
      rms-error for atom 14 :v+ + v- =  2.9036D-02  ,  v+ - v- =  3.1935D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  1.5265D-02  ,  v+ - v- =  6.1315D-04
      rms-error for atom 15 :v+ + v- =  2.9036D-02  ,  v+ - v- =  3.1935D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  1.5265D-02  ,  v+ - v- =  6.1315D-04
      rms-error for atom 16 :v+ + v- =  1.3663D-02  ,  v+ - v- =  3.2177D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  7.8332D-03  ,  v+ - v- =  8.1444D-04
      rms-error for atom 17 :v+ + v- =  1.3632D-02  ,  v+ - v- =  3.2178D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  7.7868D-03  ,  v+ - v- =  7.9014D-04
      rms-error for atom 18 :v+ + v- =  1.3632D-02  ,  v+ - v- =  3.2178D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  7.7868D-03  ,  v+ - v- =  7.9014D-04
      rms-error for atom 19 :v+ + v- =  1.3663D-02  ,  v+ - v- =  3.2177D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  7.8332D-03  ,  v+ - v- =  8.1444D-04
      rms-error for atom 20 :v+ + v- =  1.3659D-02  ,  v+ - v- =  3.2177D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  7.8360D-03  ,  v+ - v- =  8.3271D-04
      rms-error for atom 21 :v+ + v- =  1.3659D-02  ,  v+ - v- =  3.2177D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  7.8360D-03  ,  v+ - v- =  8.3271D-04
      rms-error for atom 22 :v+ + v- =  1.0569D-02  ,  v+ - v- =  3.5188D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  6.2909D-03  ,  v+ - v- =  4.7035D-04
      rms-error for atom 23 :v+ + v- =  1.0548D-02  ,  v+ - v- =  3.5187D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  6.2921D-03  ,  v+ - v- =  4.7299D-04
      rms-error for atom 24 :v+ + v- =  1.0548D-02  ,  v+ - v- =  3.5187D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  6.2921D-03  ,  v+ - v- =  4.7299D-04
      ITERATION  17 average rms-error : v+ + v- =  4.4897D-02
                                        v+ - v- =  3.4524D-02
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.193951097499522E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.847243627824435E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.063096660825776E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  2.040144876634438E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.173190856212111E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.423001878634477E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.234408876272065E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.781229655289656E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.403310984673250E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.928836060660338E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.417426281356574E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.614830025013556E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.821376574498272E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  2.034610358385554E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.803766971189485E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.838962161001049E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.253012833685121E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  4.071233258842947E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.155694371282718E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.385621322281457E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.295359146213701E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.081440993292672E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  7.926988602213274E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  8.075825663777030E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.941095375284608E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.160252258378967E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.226186199667070E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.114820789816550E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.283879279495280E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.677454998940440E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.084685842987912E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.272814482630984E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  7.754261885862611E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  8.136652305117962E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.813782235090093E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  4.795653572947540E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  9.026519830929490E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.561943182885118E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  3.827671644345534E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.745650059267442E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  7.346795168688378E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.810079520358145E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.509128051016516E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.577869394096860E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.221665168002697E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.911555331121049E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.894397126366891E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.404932934536722E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.627527678407788E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  3.852809731601283E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.168178157521335E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.531845649297671E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.506571510828507E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.143861193487058E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  6.422366054148793E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  8.958496022685127E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.099715405120538E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.043821462390135E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  3.786004652373672E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.702586051285532E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.196768084385591E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  4.125487231753767E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.520275066781730E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  3.171794685824224E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  5.508369916089524E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  1.079046530146411E-006
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  5.643862909122326E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.925908131973276E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  3.344266729110033E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  4.357424766216766E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  4.769472146471950E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  8.840987892070207E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  3.215546487874037E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  3.288502834639391E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  3.562622274306958E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  1.881831944440088E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  5.087944196102616E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  3.417823888115186E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  5.562055899849200E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  4.125486920208590E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.519868531716181E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  3.171794568669983E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  5.508370977321106E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  1.078427183050283E-006
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  5.643862594808621E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.925908032158623E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  3.344266683697357E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  4.357424532593670E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.770325591638329E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  8.840036860992294E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  3.215546445744504E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  3.288503265598096E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  3.562622075160424E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  1.881831831044574E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  5.087767228510670E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  3.417823626803755E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  5.562057078430013E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  5.755436250439932E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.534841074110052E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.238223817961519E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  7.328103568004132E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.866587233856341E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  8.348356505006674E-004
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  7.811101605532400E-012
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  4.259667293464765E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.347724253657373E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.568715033410616E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  5.666414661227574E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.440133800629864E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  3.551280659084188E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.263536671559125E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  5.122377861200433E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.153021042085016E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  5.633161347473588E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.407462297589072E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  1.793635274738370E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  9.396251045829352E-012
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.074256438727765E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  8.286627023476343E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.359614325046966E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.298149359109596E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.486303377037479E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  2.438383526514136E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.543875407377248E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  5.546944443053423E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.898422203445564E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  5.615625901697276E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.531117880894490E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  7.328433121038721E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.329938053389642E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  8.366411336781464E-004
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  6.330333709866523E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.242285347826343E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  4.424249019766912E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  3.065899588844815E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  2.830908983379200E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  4.894288649986288E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  1.783419198206000E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.418971719935889E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  2.556227108983401E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  2.138575393575653E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  5.640633290774977E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  1.795542353809528E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.708375900318434E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.356523789490168E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.412916076935343E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  3.498437555144766E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  4.864084141718860E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  4.788054122536232E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.217428220724232E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.121410551826590E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  2.772558975444983E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.442974418654595E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  2.808795465794750E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  6.055733329536401E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  7.328432830751715E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.329937850924150E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  8.366410962543240E-004
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  6.330333541919984E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.242265362291649E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  4.424250712716573E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  3.065900806424962E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  2.830908884248983E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  4.894290536451356E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  1.783419143060734E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.419679633086950E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  2.556227042886059E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  2.138575260366063E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  5.640633140820151E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  1.795542235456156E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.708375750612676E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.356517620419908E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.414237145894827E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  3.498437462253842E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  4.864086628492573E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  4.788054844182206E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.217428167718564E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.121412131712545E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  2.772558873332953E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.442969980864496E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  2.808795367915989E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  6.055736060798986E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.993075575578737E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.694211108597109E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.576244110535564E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.089250713624914E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.561711931090496E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.781221553152435E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  9.963577256682319E-011
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.497803573060466E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.086160799312242E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.259684017553818E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.129040774755666E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.529043699166351E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.551008855244450E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.126846004830876E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.927186367944764E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.678637773600839E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.709122192565559E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.557685162742379E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.793579162427791E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.161699224177707E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.448688523357567E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.317665861591566E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.144863714989810E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.046773316243183E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.270105966506347E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.352682777489881E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.281041346273854E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.165107695434684E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  9.884769546686791E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.005081123266439E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.949837785855596E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  6.066934313423994E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.074006084790911E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.491236757825932E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.444794522813398E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.305543525510622E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.265369903414081E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.250609049516279E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  6.046389201223329E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.743781476066991E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  5.091815240308671E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  3.654243743988168E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.151990288429497E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.471860997769338E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.859206817320923E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.589680828060078E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  3.657808313857365E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  8.304688964566933E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  4.314695205381750E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  9.384511399042793E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  3.544575504794269E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  3.118863266364435E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  5.150718774740522E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  5.004334745418247E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.378920940533058E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  3.099236849354649E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.586997953705553E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.280274366457309E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.288477507497763E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  2.142632963767883E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.270786043376979E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.304858531660709E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  5.533490910598851E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.504780063311213E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  4.271198986900169E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.923807564782536E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  2.660930891294309E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  6.605398509831517E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.846541317308583E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  3.149139345056356E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  7.045551280312364E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  3.068697152340772E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  3.717280087099095E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  1.824755277809708E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  3.169051757815279E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  2.153364609760545E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.690122725301958E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  1.759527324987991E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.534342898612206E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  2.697198083823984E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  3.940133849705655E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.537665311321192E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.581659122192657E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  3.590742899074096E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  2.706912997430276E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.657493327313718E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.081409451881324E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  2.312305137374197E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  3.690754864136627E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  2.766308243070925E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  4.794457142127513E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  2.140743911104408E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.643506736440906E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.327209064023320E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  1.852486859688597E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.846541102920518E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  3.149139320686132E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  7.045645861825433E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  3.068697649552107E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  3.717281020276355E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  1.824755190257838E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  3.169052645070028E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  2.153364443865690E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.690299996565206E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  1.759527159026202E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.534342831297259E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  2.697198354704140E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  3.940133662527834E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.537665325282941E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.581690258009058E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  3.590742691560653E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  2.706913313592414E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.658732416186800E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.081409526742353E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  2.312306267985116E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  3.690754222174726E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  2.766308139660910E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  4.794457248352830E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  2.140743823630494E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.644225592285179E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.327208977765716E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  1.852485429021117E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  4.575273300168284E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.682997559864048E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.680072558255508E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  4.402594653921883E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.893077933540058E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  1.023479398506992E-006
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.246403283708677E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  8.151736184043131E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.916056732890458E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.699026327494526E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.356603463643480E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.962944147149757E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.035160022456533E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.867528757557078E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.899875703556168E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  9.780363107195661E-007
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.175086338932554E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  4.697352567511027E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  8.619900390333230E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.065319789811664E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.817504235093961E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.333054219151292E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.402418353202554E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.113123618523477E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.286013450126845E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.535114865105463E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.316084753142698E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.288857546716419E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  6.246435159443257E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.351045129274285E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.318478495496230E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.467469504600241E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.850053572388808E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.512910448309414E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.018896031908823E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.084159926348642E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.429332895974593E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.522371918878533E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.520418967630597E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.355053530105298E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.231516124682987E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  1.010970194112626E-010
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.590601207844738E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.485936615668591E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.369848672452427E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.123947874156450E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  3.325411946267191E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.739521204517047E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.907920109670779E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.289077922550276E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  3.793086741991972E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.179663419052471E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.110129492272273E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.133111418351358E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.219982501024108E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.477525854858487E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.040803208732901E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.139664054124169E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.898599691222504E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.039995524665917E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  6.603423563852807E-005
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.122912935006862E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.281565864096146E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  7.977106059097190E-005
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.534014394460742E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.372431709899308E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.918871373659290E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  9.128387865240599E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.952244976199370E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.127572817839041E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.164600093091378E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.573766405520195E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.117103858518163E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.673563391105218E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  2.890871664426899E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.276343025954003E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.469025604354558E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  6.388632710757515E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  1.868850072009142E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  9.944418122293768E-005
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  2.163114891161724E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  5.724067198878079E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  9.816220100141235E-005
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.245415044058809E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.606005958195112E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  5.722998696495919E-005
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  3.302802730241282E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.686070610079909E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  3.314956046763220E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.194586955394450E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  4.020471534385805E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  6.928965495070059E-005
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  6.860599951685914E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.031483828351177E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  7.214343247678591E-005
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  5.777973797721956E-005
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.952242231056967E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.127572779473035E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.164600037783558E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.573609141137498E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.117106266398318E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.673563287028472E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  2.890874709311255E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.276342944550075E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.468904001371963E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  6.388632612468394E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  1.868850212419645E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  9.944426552115687E-005
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  2.163116371985118E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  5.724066704223999E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  9.816233581038759E-005
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.245414989264860E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.607139252660054E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  5.722998393124989E-005
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  3.302813298991488E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.684711423066372E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  3.314955943433268E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.194587143337698E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  4.020471309872050E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  6.928969765042149E-005
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  6.860599688552454E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.030470342450208E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  7.214342635995429E-005
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  5.777971477080142E-005
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  9.027196496941972E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.220300818028114E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  1.929298620209230E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  1.975458943205073E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  2.363814114036771E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  7.704623555049886E-005
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  8.991985912758737E-005
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.568793994090961E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  2.388742149897648E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  5.900633536279675E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  5.177104545719686E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  2.640474038810529E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  7.515167939848814E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.121498086432283E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  9.589092511224028E-005
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  8.520938401848021E-005
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.335283750690691E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.622365204528996E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  2.424815842627650E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.383944636142420E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  6.463895415690203E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.548734278272103E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  2.129150224098385E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.972448560430500E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  6.246413101876323E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  2.679703781080714E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.290650875808332E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  4.282149983034883E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.104274134755090E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.316418550917484E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.687359752889115E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  1.718960181701697E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  2.971966763615738E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  4.828507453817305E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  2.305698695748553E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  1.085547943964435E-004
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  1.008286855041518E-004
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  7.014182614408445E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  1.851618944806951E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.641808774273768E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  5.297948738160449E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.564812703759129E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  8.538511256970454E-005
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  8.451110748847690E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  1.959341067152239E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  5.506989260293214E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  3.808088180101425E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.148677447858751E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.299127727789662E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.872708076752177E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  3.011052355046995E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  5.066363085496730E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.224115389489054E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  3.719458081339609E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  4.380791172073958E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.556097695422376E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  3.837332664042926E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  9.028087376031505E-005
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  6.219252098425287E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  3.768835660514312E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  3.089753493108708E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  2.116370157821939E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.236369280127920E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.608651671750810E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  4.221484776053645E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  1.685374464821081E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.213048228019606E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  4.344738382781116E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  2.305693734152519E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  1.085547881901224E-004
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  1.008279539556612E-004
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  7.014190801135810E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  1.851618710030274E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.641809742887983E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  5.297948648487531E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.564810958557837E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  8.538482669114195E-005
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  8.451120099820596E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  1.959340846608996E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  5.506957128024347E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  3.808087361002784E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.148689189086232E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.299126907331702E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.872707946877731E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  3.011064802981179E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  5.066341812582172E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.224115013893086E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  3.719446425335009E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  4.380790828009305E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.556111451564484E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  3.837332133708532E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  9.028066487384181E-005
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  6.219233211184135E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  3.768835131852575E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  3.089756895274535E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  2.116362713816728E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.236369142568981E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.608645177329581E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  4.221484463147862E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  1.685363900540385E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.213047606834733E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  4.344722425137239E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  9.027196553336121E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.220294143466176E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  1.929298512858609E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  1.975458715949858E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  2.363814123286330E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  7.704611962175930E-005
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  8.991986297131862E-005
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.568795331728993E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  2.388739362115696E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  5.900644358314886E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  5.177104198576181E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  2.640442194747975E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  7.515168372627280E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.121487168365971E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  9.589090868784537E-005
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  8.520937144389598E-005
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.335299906920914E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.622374985024477E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  2.424815820766605E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.383933541950962E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  6.463894780830690E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.548720340842666E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  2.129150456454797E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.972435421618268E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  6.246429941273141E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  2.679703566951837E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.290656600758202E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  4.282143059303114E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.104273852299476E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.316427722958266E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.687359629051862E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  1.718970212456765E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  2.971966969611456E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  4.828491757524219E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.062518827439223E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.385695515043490E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.196649861121917E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  9.149897526472463E-005
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  8.010895423031102E-005
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.962410269223246E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  2.473269092379212E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  4.040395790397741E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.572550490657107E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.277733537341640E-005
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  5.130222603819021E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  4.366583171649960E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  3.504429426923796E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  8.521255933720864E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.151087854906171E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  4.889994097971693E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  6.280505375393906E-005
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  2.625798693113233E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  6.049842226268578E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  4.004831661053248E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.444934392037479E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  2.310598542375477E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.639579385615882E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  4.378599267605978E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  5.912977645885191E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  6.224120188773662E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  4.970431833869501E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.048949380373888E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.155580908465175E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.553802952384328E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  2.864264145623229E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  3.584489225005069E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  1.704438599686699E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  3.495631888975782E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.549782248689333E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.062519392527288E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.385691695662414E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.196649782592552E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  9.149907959439345E-005
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  8.010902759337472E-005
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.962410818196555E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  2.473270015707813E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  4.040396214928616E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.572551960609056E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.277708367556060E-005
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  5.130225731556960E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  4.366583093969875E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  3.504408478758593E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  8.521256577353993E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.151076751875524E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  4.889993166975772E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  6.280505253351156E-005
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  2.625784559156920E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  6.049823248129789E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  4.004832174837743E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.444933334866032E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  2.310598331110239E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.639565890585416E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  4.378599973609282E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  5.912957754668087E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  6.224137752781344E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  4.970432053726140E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.048946006595846E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.155585833943094E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.553802949809054E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  2.864255428626833E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  3.584489375178878E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  1.704448705997992E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  3.495632174674287E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.549789006798272E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  8.261309465579819E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.306652585193670E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.747896795328271E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  1.886131023876897E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  8.511623572529869E-005
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  9.192846454694636E-012
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.246445489891935E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  7.401251991589118E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  1.455678168509303E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  3.663164608441941E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.195696491255332E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.494055415355619E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.831446503850316E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.393077970800175E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  8.271845209606759E-005
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.253905360517243E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  2.763089221777323E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  2.655709494803768E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.223060486238665E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  2.859164589083742E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.226741304592596E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.512613681520386E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.794003996669757E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  2.866041270566929E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  7.966927610047202E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.655063503334512E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  2.899186630197636E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  9.310262480557234E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.679346243571537E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  4.401156444139324E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.552443411556169E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.252952327658316E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  8.365465965379568E-005
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.406245538379441E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  7.084771663825523E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.213630143076448E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  2.213957205350679E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.414550858312086E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  1.600338983871610E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  9.086979796658421E-005
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.644932829540733E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  9.291708422724850E-005
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  8.597577250980340E-005
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.261343791513439E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.099292986588462E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  1.966529631490589E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  7.377385465630452E-005
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.730129707745610E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.493666456836795E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  6.873018334552325E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  9.404857174515680E-005
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.672037419708358E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  4.006698618408046E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.474958239709874E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.410999694027048E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.346350902178298E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  2.658128671553406E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  2.884189561681327E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  6.994951773659499E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  7.423167858671595E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.799800848330876E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.317122692322775E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.020335016404728E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.275314739953780E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.444843570560789E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.352782627346723E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.897319477619343E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  2.214972347538966E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.356998277144375E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  6.359103737173817E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  4.236573305248497E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  7.538414527833936E-005
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  3.659563913072619E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.263949042572233E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.302852434135567E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  3.847994939901020E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  1.600332660245259E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  9.086977655322376E-005
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.644921425243866E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  9.291708972105646E-005
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  8.597577640988299E-005
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.261344033171364E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.099292873015463E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  1.966529501094606E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  7.377386690510800E-005
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.730174309996175E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.493646265872416E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  6.873019264343948E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  9.404856614252741E-005
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.672032670924897E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  4.006698927105730E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.476082373052980E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.410999377889600E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.346350799654772E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  2.658129892321473E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  2.884189980610242E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  6.994954653597288E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  7.423167629831534E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.799800633355799E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.317122683396062E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.020334585171603E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.275273000180499E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.444842561585386E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.352783623274534E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.897560877318950E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  2.214972444880624E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.356967950652809E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  6.359078776461971E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  4.236572933474001E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  7.538413990822679E-005
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  3.659563652007130E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.249999567175232E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.302852114324452E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  3.847966950270989E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  1.005195957372189E-005
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.934256682977160E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  1.986947400203893E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.533041120952970E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.319808075671519E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.730022778513914E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.828501579616152E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.740087804648017E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.119002688941189E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.715007648000943E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.707921625223655E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.572453729747693E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.302810889952913E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.546341002431512E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.839113090979626E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.463383898950033E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.127622259325906E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.529811654510916E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  9.899995610155675E-007
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.380075530024841E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.192817132017175E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.101643813003518E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  7.797235753350240E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  7.652192834547294E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.500272326206850E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.152510078600365E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.040039117023735E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.088030477940468E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  5.136393421401551E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.149769464577378E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.544012495050109E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.296390849132446E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.124878552118605E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  7.118016327481984E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.786310630285548E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  5.022498553777876E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  7.935267070477534E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.633516742113497E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.131521274279169E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.125997673982597E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  8.108466843553307E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.903742982582587E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.788206759104254E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.734413547367412E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.229377546899043E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  1.988376572471145E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.090771422667624E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  9.687711381931475E-011
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.696904288279124E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  4.419302609112033E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.166423044117822E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.316542513750569E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.129161367954408E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.131298781497343E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  6.662346709725007E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.215540913583519E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.097086230983195E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.107686580739665E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  4.137031626958525E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.767246127946772E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.252639813907566E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  3.612130173464035E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.840969488102369E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  3.267746292372802E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  5.679349773327726E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.290477589739055E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  6.129537785923459E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  2.197945920460869E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  3.816727715741155E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  4.128844261073130E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.881850152436764E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  6.279112781246928E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  3.336707658071690E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  3.592572318391102E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  3.579398390571979E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  2.055679491080200E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.456817029952547E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  3.563147484280577E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  5.772141231692616E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  3.612129995594388E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.840529330411440E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  3.267746216555773E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  5.679350828604621E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  3.284953647735785E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  6.129537601548805E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  2.197945865756880E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  3.816727549559470E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  4.128844082831041E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.882262930997092E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  6.278174335083782E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  3.336707650108401E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  3.592572911053378E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  3.579398232811656E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  2.055679387420247E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.456521986717235E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  3.563147260779982E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  5.772142527555839E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  7.569492668359052E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  2.959783768841935E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.734912628296704E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  7.215678840396333E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  2.007579253119451E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  8.400615600896796E-004
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.060821776414082E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  5.124146353563122E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.380843969373881E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  9.889863602160064E-011
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  6.099811395553464E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.477844168687996E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  4.141983483513907E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.348446829156766E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  5.339791602757920E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.143491628173981E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  5.531698651263910E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.763620491887773E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  2.127096484936496E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.087055073593000E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.098447127509564E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.107678207574171E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.264105711511843E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.387298398688564E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.077828446672791E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  2.508752136984772E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.642720447426655E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  5.959535246928229E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.923487078092559E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  5.987032515088355E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.670748698147564E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  7.213282084595203E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.111000338560160E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  8.416545470949791E-004
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  6.299888016242192E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.351739442412077E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  4.614090623405172E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  3.579145087972520E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  3.043714300130681E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  5.267599075256503E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  2.081649595271100E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.982514705049720E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  2.662146339995944E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.930649798863999E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  5.539520724184972E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  2.129975125011219E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.758533651555030E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.540775230092609E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.336662190288624E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  3.670892629524944E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  5.185676464212547E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  5.144279018160230E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.252356246854083E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  2.182006026989643E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  2.974429562652727E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.657108848368723E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  2.991232076277343E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  6.361927444384855E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  7.213281900185640E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.111000051789336E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  8.416545315645557E-004
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  6.299887920333840E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.351723665004836E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  4.614092660158684E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  3.579146436263584E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  3.043714165050828E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  5.267601007384605E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  2.081649553911914E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.983237610388618E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  2.662146246982313E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.930649713005466E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  5.539520620750638E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  2.129974993567373E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.758533545366243E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.540767516583552E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.338023384340639E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  3.670892504294506E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  5.185679131577039E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  5.144279914586901E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.252356186628262E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  2.182007627783307E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  2.974429444195681E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.657007323363375E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  2.991231957356070E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  6.361930381778331E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.194509517924813E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  9.925534391355435E-011
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.758500088150120E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.993833283630485E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.051079481366747E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.044430391345501E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.010678285793798E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  5.054660974186532E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.208403610211129E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.785579282522669E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.182818904384410E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.605063616383797E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.723621958609255E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.750774915199702E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.985840854014809E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.049530442414693E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.789588021488169E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.068150435296068E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  2.030367484931459E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.639372341142588E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.725193225257670E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.515443314619174E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.215114351669429E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.250963243333768E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.310045751406788E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.731601418216444E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.841675232387390E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.169296665887253E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.791158596132670E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.065103967491698E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.392201146935921E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  6.766703473499165E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.479254841546483E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.666386883974847E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.457114671559167E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.639115455709893E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.351185212728667E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.789033204774770E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  6.133179695758773E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.359589904702672E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  6.028275609972557E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  4.496410814500796E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.749836016861597E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  2.332615074413767E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.601572650974757E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  7.903582411142896E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  3.790897852985461E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.719648414557799E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  3.887435430340925E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  1.015483178838025E-010
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  3.162515928672129E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  3.036396956362026E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  4.854396304066651E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  4.823997688846095E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  6.195245620527289E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  2.690439382794096E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.934292214149259E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.257355681920008E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.604310297688318E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  1.987679837667959E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.873281719700697E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.843306031743153E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  5.843609408264759E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.636191565242905E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  4.504507929699700E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.821901387294332E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  2.740309833215852E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  6.413504865626652E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  2.271011293480963E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  3.872592722877608E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.643190198949848E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  2.738211920495504E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  3.346971874638925E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  1.890469695621961E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  3.283170991390453E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  1.939083689590181E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.116306264582061E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  1.567634169568779E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.491491660976792E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.343582788009657E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  4.184705215923693E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.332380944352925E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.738114072415901E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  3.318037015767522E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  2.635842513552226E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.187916672944857E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  1.003779084371399E-004
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  2.381697156986576E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  3.891489793035779E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  2.921134168783551E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  5.061961551761118E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  2.257725269793756E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.091627774156938E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.366642135799135E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  1.718040867755561E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  2.271011034280445E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  3.872592950516584E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.643279036435232E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  2.738212519646216E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  3.346972806020058E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  1.890469618391872E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  3.283172065856513E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  1.939083607901934E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.116477524755378E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  1.567634066833466E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.491491593234365E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.343583037202343E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  4.184705052782736E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.332380947511040E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.738143315333176E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  3.318036863237131E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  2.635842781778956E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.189186302483211E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  1.003779131642553E-004
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  2.381698280756101E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  3.891489188138665E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  2.921134082163110E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  5.061961708180969E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  2.257725210907318E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.092362100661363E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.366642063652959E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  1.718039557884548E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  3.829170338691892E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.401594594975478E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.900231499524849E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.548350104859657E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  7.999904919431554E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  1.293645544796461E-006
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  7.917624199487454E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  7.769534165995610E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.150142158914172E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.815019188747915E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.558974937488922E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.056874130127111E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.029113050539159E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  8.635214473171568E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.909692492615094E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  8.653773958904893E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.204064177018218E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  5.842349851177301E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  7.753345931219933E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.963943409242767E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.293640293524222E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  8.041537784663247E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.835438067874650E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.033668578370360E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.391880208375911E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.440360700056499E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.315499046950619E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287223861705115E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  6.457534644428394E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.813387050438390E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.543199872239265E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.677426893963178E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.340065052863746E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.511663107926966E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.014704807322102E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.154968477082277E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.641823440860175E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.548646563689829E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.518256762493699E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  4.004385757116981E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.498268321294281E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  9.066429811347403E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.137901972273621E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.669548898475411E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.346251398351569E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.075078785239175E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  3.105088714391678E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.673192372493723E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.334261916188558E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  1.950333081532163E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  9.826196889135692E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.197987843533454E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.115003058729624E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  9.636318732421285E-005
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  8.109081862480429E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  2.886173249827794E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  6.983164184364797E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.598476022805374E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.013351105212734E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.003200375761774E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  7.968680067425637E-005
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.403780819394032E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.137669990084367E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  8.754034013090477E-005
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.460144967819076E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.492474256581722E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.722073968620253E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.893726815587913E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  2.184092583126431E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.257622559545566E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.447110602471995E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.323723077777466E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.690402521388445E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.565939243024260E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  2.701099775642662E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  1.033460181529992E-004
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.398289108911214E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  9.702379958714009E-005
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.820245800588096E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.389386921399737E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  2.518212988243653E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  4.877449140982357E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  8.347023291904803E-005
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.448616108009599E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.465371161255468E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  7.981609555650888E-005
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.511769350346568E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.513289977544336E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  3.985606915725505E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.298706052271783E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  4.395325939825689E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  7.598412893017906E-005
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  7.452437286665848E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.813408055087487E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  5.901260033170103E-005
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  6.960853350050549E-005
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  2.184090117298588E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.257622518375189E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.447110484353921E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.323814945551528E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.690405024524958E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.565939140645990E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  2.701102742418480E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  1.033460107100886E-004
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.398182597551946E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  9.702379645012877E-005
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.820245760722137E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.389388955710663E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  2.518214658274847E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  4.877448783500673E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  8.347038131162088E-005
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.448616030888354E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.466488602556059E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  7.981609307669679E-005
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.511787862449653E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.511994603299488E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  3.985606741234404E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.298706181123606E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  4.395325708427533E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  7.598423058769619E-005
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  7.452437020112065E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.812463742987053E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  5.901259698838609E-005
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  6.960850722152890E-005
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  3.022470674130616E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.622631023935841E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.721833759626411E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  7.051198051832815E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  2.128203306827734E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  1.485563397607045E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  8.411716653557318E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.453431069743923E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  1.035884953909751E-004
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  7.441776887456645E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  5.824923749748314E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  6.519683394639975E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.171349727061585E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.409393436690285E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  3.738116217158000E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.537684997142995E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.344886628867617E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  3.019199043906163E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  4.926867118605053E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  3.373223011574082E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  4.799077247878932E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.858926279981924E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  1.049808231385713E-004
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  5.516966260040965E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  5.720583527592806E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  2.571309952752459E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  6.229768294972371E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.420526055629008E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.984027852615138E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.332977262575831E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.316034633788563E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.543891266526880E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  8.672239301394207E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  2.178712351216050E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  9.490457709498257E-005
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.597525450732969E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  7.809974966081495E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  4.748312923806433E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  2.367106209896035E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  1.059803270678477E-004
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  9.795867599150049E-005
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.451025903726870E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  4.620646815411456E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.148963710750310E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.301324435170369E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  2.260744110452656E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  7.129788032340371E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.434923250810822E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  1.002138287806184E-004
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  5.523578503283128E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  7.751941198458966E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.737736036366860E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  5.289968341254779E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  2.789895549265681E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  4.864955475003162E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.858355619120304E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  7.547185103312839E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  2.733004167600441E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  5.699630342529174E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  2.687434979890946E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  4.306326665087342E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  1.792744820815837E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  2.353904272078186E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  2.132425736826620E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.551464182428160E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.516813831872034E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  9.535433503736918E-005
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  2.143062675740081E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  9.490433735243242E-005
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.597525462538872E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  7.809913821806687E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  4.748317743005281E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  2.367105967048861E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  1.059804538779769E-004
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  9.795867466036253E-005
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.451024175965566E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  4.620630076310784E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.148964938843131E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.301324880887932E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  2.260726767429400E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  7.129788008509748E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.434935248587370E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  1.002138311006294E-004
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  5.523578134283356E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  7.751964147481000E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.737751042212404E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  5.289968125687562E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  2.789897550515092E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  4.864955546821241E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.858369357443844E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  7.547185310647314E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  2.732993429447651E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  5.699611628204247E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  2.687434639458837E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  4.306336956983897E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  1.792737601036187E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  2.353904136699948E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  2.132438198644020E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.551464372218284E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.516803716713734E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  9.535433938891886E-005
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  2.143055569672477E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  3.022470613563202E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.622638452082785E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.721834061376006E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  7.051186442946432E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  2.128203261227586E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  1.485562208693083E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  8.411717332790464E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.453432219936117E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  1.035883127489987E-004
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  7.441780930209199E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  5.824923056352557E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  6.519714343623088E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.171349786156568E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.409381859158676E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  3.738116756045526E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.537686111874989E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.344877487605961E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  3.019194917688707E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  4.926867200156249E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  3.373215001500870E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  4.799077852402384E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.858912423448844E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  1.049808315415386E-004
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  5.516948472332319E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  5.720599635466368E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  2.571310191213655E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  6.229757901966565E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.420534239931204E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.984028340238423E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.332976495171457E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.316034864805642E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.543900807312896E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  8.672239884011480E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  2.178698949431899E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.379078641503725E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.864885516259017E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.692952370856602E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.299344374913561E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  1.032893145022676E-004
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  1.954403927073724E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  2.624839230849228E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  3.644488211547307E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.450355898060372E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  7.449147499587334E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  9.706585973346701E-005
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  3.349183919552612E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  7.794401281812178E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.040784785249315E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.467104418131706E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  7.815350515773022E-005
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  4.120596026822058E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  1.036849742455217E-004
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  5.667220338689230E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.153088039707785E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  5.905144219672935E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.269503853107691E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.949799726674906E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  3.835757451055808E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.621017138186328E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  5.677851698904106E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  1.824170036751866E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  1.049128327554814E-004
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.834448250698842E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.362927735223441E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  3.149106357557375E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  8.257351561163980E-006
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.521620467730649E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.166443618904166E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  2.964417045692091E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.379079103602425E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.864890143679326E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.692952262270609E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.299337131330195E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  1.032894128863354E-004
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  1.954403112995394E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  2.624840376667619E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  3.644487272991607E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.450357315029046E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  7.449163748225957E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  9.706596194417053E-005
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  3.349184130081892E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  7.794373024558269E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.040784843249799E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.467092969728116E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  7.815350255745654E-005
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  4.120595928012046E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  1.036851646336168E-004
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  5.667230231440655E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.153088033001140E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  5.905150640749861E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.269503751460632E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.949786177855932E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  3.835757632663423E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.621035544196961E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  5.677868954277015E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  1.824169992333492E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  1.049129342375702E-004
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.834439950502316E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.362927807563114E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  3.149115492211506E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  8.257351531661745E-006
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.521630180570502E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.166443740411145E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  2.964425163653220E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  8.888130232992084E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  3.069682380545596E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.127563064329681E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.154202774076302E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  1.056977812288150E-004
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.108782704370990E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.144306154387001E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.276984265065747E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  1.242920013771524E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.161922901868248E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.210539516955688E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.579471139744461E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.794305387242230E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.479862348190394E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.216699204030656E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.835698684420911E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.139834355828548E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  2.577867400390291E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.588483079979817E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  1.013716286418745E-004
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.104461673739268E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.150862565248735E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  4.461726276764733E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  4.017162776959629E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  2.702437605130837E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  2.844126670851761E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  8.491804815615494E-005
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  8.588379295238901E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.561913495051660E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  7.356204861152171E-006
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.578033298967707E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.267438581033279E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  9.555116968052208E-005
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.403938410106392E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  7.446040594088357E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.123524281630163E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  9.734572498228781E-006
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.400369535373445E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  9.830853467089422E-005
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  9.721068248476923E-005
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.755224209236467E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  5.660569924025489E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  1.056068895191045E-004
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  1.068228762170090E-004
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  5.511035737702441E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  1.014615007674335E-004
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  6.305615161670084E-005
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.884173338295573E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  5.127368853936475E-006
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  1.024840227203030E-004
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  9.273740200075334E-005
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.651284601270777E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  5.942336137669089E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.614184671707320E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  3.353016329201547E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.286558161054885E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  7.198953947004920E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  1.014543747607124E-004
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.375167914085558E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  5.622357311955728E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  4.412856352288828E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  1.004185715899277E-004
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.374229744095161E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.465173383223151E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  4.254242091186306E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  2.170453171887332E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  4.978800200757209E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  3.503714570337782E-006
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.236852508619988E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  6.690131136478480E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  4.825878092253865E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  8.560785907177872E-005
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  3.848080707653281E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  3.018661959557148E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  6.606385487708476E-006
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  6.198558129628562E-006
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  9.830808765816777E-005
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  9.721070161375481E-005
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.755212802680123E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  5.660570640062099E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  1.056068902156554E-004
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  1.068228891723454E-004
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  5.511034069675760E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  1.014614907393032E-004
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  6.305616615191869E-005
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.884220441505516E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  5.127552579572274E-006
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  1.024840437009511E-004
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  9.273740454980563E-005
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.651280112970777E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  5.942336430440318E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.615201147431393E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  3.353015526191608E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.286558439474940E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  7.198951972215484E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  1.014543777747103E-004
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.375169898960606E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  5.622356900443922E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  4.412856025977426E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  1.004185700237248E-004
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.374229769730907E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.465007421802572E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  4.254243016063071E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  2.170452235106696E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  4.978875950996817E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  3.503717739897466E-006
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.236825933368115E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  6.690106957888035E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  4.825877943905279E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  8.560793530836595E-005
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  3.848080758022301E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  3.005815206904347E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  6.606386077236230E-006
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  6.198351737304568E-006
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.32098233 p = -3227.32165459
                                d =  -843.03218756 f =   -22.84005233
       valence  contribution :  s =    -0.07254765 p =    -0.02213428
                                d =    -0.21118537 f =    -0.00237401
                                ns      0.00255809
     single particle energies  spin  up    
         core   contribution :  s = -6844.96315759 p = -3228.87085494
                                d =  -844.30601918 f =   -23.73958960
       valence  contribution :  s =    -0.09752798 p =    -0.02858646
                                d =    -0.64600420 f =    -0.00303665
                                ns      0.00483799
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21880.47049864
                                   band energy per atom :   -1.0760005170

     coulomb  contribution :   0  13790.05099741  1      0.01134442
                               2      0.00070433  3     -0.00167937
                               4      0.00315676  5      0.00017778
                               6     -0.00002236
     --------------------------------------------------------------------
     tot. coulomb contribution :  13790.06467896

     ex.-cor. contribution :   0   -674.08994854  1      0.00867129
                               2      0.00180923  3     -0.00847597
                               4     -0.00844360  5      0.00229193
                               6      0.00005266
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.09404301

     eff. pot. contribution     : -26876.18162338
     total double counting contribution                 : -13760.21098743

   Total contribution of atom  1 =-35640.68148607
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07896482 p =    -0.09136444
                                d =    -0.04030486 f =    -0.01221427
                                ns      0.03705165
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09810843 p =    -0.11361380
                                d =    -0.05322462 f =    -0.01820623
                                ns      0.04933423
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41961559
                                   band energy per atom :   -0.4196155879

     coulomb  contribution :   0     -0.11878922  1      0.00096130
                               2      0.00352383  3      0.00152377
                               4     -0.00038336  5      0.00028924
                               6      0.00002094
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11285350

     ex.-cor. contribution :   0     -0.69299933  1     -0.00061585
                               2      0.05202907  3      0.00958608
                               4      0.01880217  5      0.00383803
                               6      0.00047523
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60888460

     eff. pot. contribution     :     -0.46075329
     total double counting contribution                 :     -1.18249139

   Total contribution of atom  2 =    -1.60210698
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07888783 p =    -0.09126455
                                d =    -0.04026971 f =    -0.01220147
                                ns      0.03697403
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09801316 p =    -0.11347309
                                d =    -0.05316441 f =    -0.01818358
                                ns      0.04922055
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41926322
                                   band energy per atom :   -0.4192632205

     coulomb  contribution :   0     -0.11902958  1      0.00097076
                               2      0.00353316  3      0.00151845
                               4     -0.00037478  5      0.00029092
                               6      0.00002097
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11307011

     ex.-cor. contribution :   0     -0.69235065  1     -0.00062976
                               2      0.05197337  3      0.00957084
                               4      0.01874315  5      0.00383110
                               6      0.00047301
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60838894

     eff. pot. contribution     :     -0.46040172
     total double counting contribution                 :     -1.18186078

   Total contribution of atom  3 =    -1.60112400
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07888783 p =    -0.09126455
                                d =    -0.04026971 f =    -0.01220147
                                ns      0.03697403
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09801316 p =    -0.11347309
                                d =    -0.05316441 f =    -0.01818358
                                ns      0.04922055
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41926322
                                   band energy per atom :   -0.4192632246

     coulomb  contribution :   0     -0.11902959  1      0.00097076
                               2      0.00353316  3      0.00151845
                               4     -0.00037478  5      0.00029092
                               6      0.00002097
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11307012

     ex.-cor. contribution :   0     -0.69235065  1     -0.00062976
                               2      0.05197336  3      0.00957083
                               4      0.01874317  5      0.00383110
                               6      0.00047301
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60838894

     eff. pot. contribution     :     -0.46040172
     total double counting contribution                 :     -1.18186077

   Total contribution of atom  4 =    -1.60112400
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04949019 p =    -0.06005985
                                d =    -0.02753843 f =    -0.00865484
                                ns      0.00824759
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06164977 p =    -0.07292670
                                d =    -0.03423315 f =    -0.01139877
                                ns      0.01009407
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30761004
                                   band energy per atom :   -0.3076100392

     coulomb  contribution :   0     -0.07916560  1     -0.00046204
                               2     -0.00034254  3     -0.00002758
                               4     -0.00027517  5      0.00004818
                               6      0.00016832
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.08005644

     ex.-cor. contribution :   0     -0.42879991  1     -0.00015758
                               2     -0.00033862  3     -0.00004075
                               4      0.01750932  5      0.00001447
                               6      0.00114844
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41066463

     eff. pot. contribution     :     -0.44319450
     total double counting contribution                 :     -0.93391557

   Total contribution of atom  5 =    -1.24152561
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04948511 p =    -0.06007352
                                d =    -0.02754678 f =    -0.00865385
                                ns      0.00824835
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06163511 p =    -0.07293577
                                d =    -0.03424276 f =    -0.01139857
                                ns      0.01009450
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30762860
                                   band energy per atom :   -0.3076286016

     coulomb  contribution :   0     -0.07905675  1     -0.00045960
                               2     -0.00034256  3     -0.00002684
                               4     -0.00027901  5      0.00004813
                               6      0.00016759
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07994904

     ex.-cor. contribution :   0     -0.42873150  1     -0.00015910
                               2     -0.00033387  3     -0.00004122
                               4      0.01751126  5      0.00001473
                               6      0.00114427
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41059543

     eff. pot. contribution     :     -0.44315969
     total double counting contribution                 :     -0.93370416

   Total contribution of atom  6 =    -1.24133276
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04948511 p =    -0.06007352
                                d =    -0.02754678 f =    -0.00865385
                                ns      0.00824835
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06163511 p =    -0.07293577
                                d =    -0.03424276 f =    -0.01139857
                                ns      0.01009450
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30762860
                                   band energy per atom :   -0.3076286039

     coulomb  contribution :   0     -0.07905675  1     -0.00045960
                               2     -0.00034256  3     -0.00002684
                               4     -0.00027901  5      0.00004813
                               6      0.00016759
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07994904

     ex.-cor. contribution :   0     -0.42873150  1     -0.00015910
                               2     -0.00033387  3     -0.00004122
                               4      0.01751124  5      0.00001473
                               6      0.00114427
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41059545

     eff. pot. contribution     :     -0.44315969
     total double counting contribution                 :     -0.93370418

   Total contribution of atom  7 =    -1.24133279
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07290820 p =    -0.08526154
                                d =    -0.03523953 f =    -0.00928507
                                ns      0.01737967
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09008660 p =    -0.10548832
                                d =    -0.04610510 f =    -0.01330372
                                ns      0.02209923
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41819919
                                   band energy per atom :   -0.4181991919

     coulomb  contribution :   0     -0.11189011  1     -0.00077213
                               2     -0.00168111  3      0.00197464
                               4     -0.00013944  5      0.00015676
                               6      0.00015728
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11219412

     ex.-cor. contribution :   0     -0.62396713  1      0.00243466
                               2      0.00373383  3      0.00050174
                               4      0.03028954  5      0.00096185
                               6      0.00053720
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58550831

     eff. pot. contribution     :     -0.44537289
     total double counting contribution                 :     -1.14307531

   Total contribution of atom  8 =    -1.56127450
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.57787001 p = -1089.80433224
                                d =  -190.79270108
       valence  contribution :  s =    -0.46765059 p =    -0.17495202
                                d =    -0.01493952 f =    -0.00442999
                                ns     -0.00284525
     single particle energies  spin  up    
         core   contribution :  s = -2636.08339140 p = -1090.94241914
                                d =  -192.05685242
       valence  contribution :  s =    -0.55865594 p =    -0.23951644
                                d =    -0.02006717 f =    -0.00589507
                                ns     -0.00330871
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.74982699
                                   band energy per atom :   -1.4922606956

     coulomb  contribution :   0   5105.29854858  1     -0.00017339
                               2      0.00044043  3      0.00123663
                               4     -0.00739739  5     -0.00000318
                               6      0.00007936
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.29273103

     ex.-cor. contribution :   0   -329.25954271  1     -0.00004405
                               2     -0.00034616  3      0.00350621
                               4     -0.01874597  5      0.00000507
                               6      0.00034756
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.27482004

     eff. pot. contribution     :  -9893.49068392
     total double counting contribution                 :  -5117.47277293

   Total contribution of atom  9 =-12954.22259992
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.57810482 p = -1089.80485173
                                d =  -190.79325826
       valence  contribution :  s =    -0.46760633 p =    -0.17489026
                                d =    -0.01494267 f =    -0.00443283
                                ns     -0.00284769
     single particle energies  spin  up    
         core   contribution :  s = -2636.08362585 p = -1090.94293785
                                d =  -192.05740819
       valence  contribution :  s =    -0.55861626 p =    -0.23943181
                                d =    -0.02007016 f =    -0.00589858
                                ns     -0.00331286
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.75223614
                                   band energy per atom :   -1.4920494386

     coulomb  contribution :   0   5105.28431779  1     -0.00017018
                               2      0.00043848  3      0.00123873
                               4     -0.00740778  5     -0.00000265
                               6      0.00007953
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.27849391

     ex.-cor. contribution :   0   -329.25912479  1     -0.00004480
                               2     -0.00034899  3      0.00350736
                               4     -0.01877170  5      0.00000581
                               6      0.00034799
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.27442912

     eff. pot. contribution     :  -9893.47352382
     total double counting contribution                 :  -5117.46945903

   Total contribution of atom 10 =-12954.22169517
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.57810481 p = -1089.80485174
                                d =  -190.79325826
       valence  contribution :  s =    -0.46760633 p =    -0.17489026
                                d =    -0.01494267 f =    -0.00443283
                                ns     -0.00284769
     single particle energies  spin  up    
         core   contribution :  s = -2636.08362589 p = -1090.94293785
                                d =  -192.05740819
       valence  contribution :  s =    -0.55861626 p =    -0.23943181
                                d =    -0.02007016 f =    -0.00589858
                                ns     -0.00331286
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.75223618
                                   band energy per atom :   -1.4920494413

     coulomb  contribution :   0   5105.28431800  1     -0.00017018
                               2      0.00043848  3      0.00123873
                               4     -0.00740778  5     -0.00000265
                               6      0.00007953
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.27849412

     ex.-cor. contribution :   0   -329.25912481  1     -0.00004480
                               2     -0.00034897  3      0.00350564
                               4     -0.01876947  5      0.00000581
                               6      0.00034799
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.27442861

     eff. pot. contribution     :  -9893.47352401
     total double counting contribution                 :  -5117.46945850

   Total contribution of atom 11 =-12954.22169468
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08921817 p =    -0.10981529
                                d =    -0.05062493 f =    -0.01518611
                                ns      0.05200490
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10660300 p =    -0.12855570
                                d =    -0.06032606 f =    -0.01909231
                                ns      0.06273356
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46468312
                                   band energy per atom :   -0.4646831172

     coulomb  contribution :   0     -0.16502425  1     -0.00101235
                               2     -0.00014383  3      0.00168386
                               4      0.00168577  5      0.00052494
                               6      0.00003082
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.16225505

     ex.-cor. contribution :   0     -0.67772993  1     -0.00112126
                               2      0.05159552  3      0.00919771
                               4      0.01963741  5      0.00412259
                               6      0.00026662
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.59403134

     eff. pot. contribution     :     -0.39585328
     total double counting contribution                 :     -1.15213968

   Total contribution of atom 12 =    -1.61682279
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77311076 p = -1151.24508278
                                d =  -209.72215749
       valence  contribution :  s =    -0.61741459 p =    -0.23681471
                                d =    -0.01389984 f =    -0.00365128
                                ns      0.00128353
     single particle energies  spin  up    
         core   contribution :  s = -2756.27964333 p = -1152.38588294
                                d =  -210.99084374
       valence  contribution :  s =    -0.71018168 p =    -0.33706136
                                d =    -0.01495365 f =    -0.00374512
                                ns      0.00118214
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.33197761
                                   band energy per atom :   -1.9352565689

     coulomb  contribution :   0   5306.15269535  1      0.00099415
                               2     -0.00085906  3     -0.00376798
                               4     -0.00498603  5      0.00052058
                               6     -0.00000199
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.14459502

     ex.-cor. contribution :   0   -339.85917875  1      0.01203338
                               2     -0.00322529  3     -0.01485005
                               4     -0.01428751  5      0.00224711
                               6     -0.00000459
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87726571

     eff. pot. contribution     : -10308.38445629
     total double counting contribution                 :  -5342.11712698

   Total contribution of atom 13 =-13580.44910459
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77326678 p = -1151.24543585
                                d =  -209.72255280
       valence  contribution :  s =    -0.61742148 p =    -0.23685790
                                d =    -0.01389771 f =    -0.00365109
                                ns      0.00128138
     single particle energies  spin  up    
         core   contribution :  s = -2756.27979918 p = -1152.38623568
                                d =  -210.99123849
       valence  contribution :  s =    -0.71018810 p =    -0.33711115
                                d =    -0.01495144 f =    -0.00374473
                                ns      0.00117954
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.33389148
                                   band energy per atom :   -1.9353626932

     coulomb  contribution :   0   5306.15777815  1      0.00100273
                               2     -0.00086236  3     -0.00376661
                               4     -0.00498813  5      0.00052110
                               6     -0.00000198
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.14968290

     ex.-cor. contribution :   0   -339.85930656  1      0.01203200
                               2     -0.00323310  3     -0.01482101
                               4     -0.01427994  5      0.00224792
                               6     -0.00000446
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87736515

     eff. pot. contribution     : -10308.38745053
     total double counting contribution                 :  -5342.11513278

   Total contribution of atom 14 =-13580.44902426
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77326674 p = -1151.24543585
                                d =  -209.72255280
       valence  contribution :  s =    -0.61742148 p =    -0.23685790
                                d =    -0.01389771 f =    -0.00365109
                                ns      0.00128138
     single particle energies  spin  up    
         core   contribution :  s = -2756.27979923 p = -1152.38623568
                                d =  -210.99123848
       valence  contribution :  s =    -0.71018810 p =    -0.33711115
                                d =    -0.01495144 f =    -0.00374473
                                ns      0.00117954
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.33389148
                                   band energy per atom :   -1.9353626931

     coulomb  contribution :   0   5306.15777823  1      0.00100273
                               2     -0.00086236  3     -0.00376661
                               4     -0.00498813  5      0.00052110
                               6     -0.00000198
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.14968298

     ex.-cor. contribution :   0   -339.85930660  1      0.01203200
                               2     -0.00323316  3     -0.01482930
                               4     -0.01427198  5      0.00224792
                               6     -0.00000446
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.87736558

     eff. pot. contribution     : -10308.38745062
     total double counting contribution                 :  -5342.11513321

   Total contribution of atom 15 =-13580.44902469
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.76905741 p = -1151.23778125
                                d =  -209.71775311
       valence  contribution :  s =    -0.61986576 p =    -0.23934509
                                d =    -0.01370877 f =    -0.00356374
                                ns     -0.00003136
     single particle energies  spin  up    
         core   contribution :  s = -2756.27539616 p = -1152.37805512
                                d =  -210.98544846
       valence  contribution :  s =    -0.71176178 p =    -0.33908937
                                d =    -0.01507538 f =    -0.00384243
                                ns      0.00015105
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.30962412
                                   band energy per atom :   -1.9461326184

     coulomb  contribution :   0   5307.26726004  1      0.00122106
                               2     -0.00103522  3     -0.00371233
                               4     -0.00478437  5      0.00045038
                               6     -0.00001332
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.25938623

     ex.-cor. contribution :   0   -339.88951805  1      0.01199268
                               2     -0.00394352  3     -0.01368441
                               4     -0.01402249  5      0.00204515
                               6     -0.00003542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90716606

     eff. pot. contribution     : -10309.53253889
     total double counting contribution                 :  -5342.18031872

   Total contribution of atom 16 =-13580.48994284
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.76890677 p = -1151.23743563
                                d =  -209.71735747
       valence  contribution :  s =    -0.61980658 p =    -0.23933481
                                d =    -0.01370855 f =    -0.00356344
                                ns     -0.00003571
     single particle energies  spin  up    
         core   contribution :  s = -2756.27524510 p = -1152.37770838
                                d =  -210.98505076
       valence  contribution :  s =    -0.71169425 p =    -0.33906387
                                d =    -0.01507602 f =    -0.00384238
                                ns      0.00014508
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.30768463
                                   band energy per atom :   -1.9459805271

     coulomb  contribution :   0   5307.25413170  1      0.00121160
                               2     -0.00103616  3     -0.00371565
                               4     -0.00478535  5      0.00045000
                               6     -0.00001326
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.24624288

     ex.-cor. contribution :   0   -339.88922485  1      0.01199085
                               2     -0.00393591  3     -0.01369487
                               4     -0.01402524  5      0.00204568
                               6     -0.00003532
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90687965

     eff. pot. contribution     : -10309.52162754
     total double counting contribution                 :  -5342.18226430

   Total contribution of atom 17 =-13580.48994893
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.76890674 p = -1151.23743563
                                d =  -209.71735747
       valence  contribution :  s =    -0.61980658 p =    -0.23933481
                                d =    -0.01370855 f =    -0.00356344
                                ns     -0.00003571
     single particle energies  spin  up    
         core   contribution :  s = -2756.27524513 p = -1152.37770838
                                d =  -210.98505076
       valence  contribution :  s =    -0.71169425 p =    -0.33906387
                                d =    -0.01507602 f =    -0.00384238
                                ns      0.00014508
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.30768464
                                   band energy per atom :   -1.9459805283

     coulomb  contribution :   0   5307.25413179  1      0.00121160
                               2     -0.00103616  3     -0.00371565
                               4     -0.00478535  5      0.00045000
                               6     -0.00001326
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.24624298

     ex.-cor. contribution :   0   -339.88922486  1      0.01199085
                               2     -0.00393591  3     -0.01369420
                               4     -0.01402629  5      0.00204568
                               6     -0.00003532
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90688004

     eff. pot. contribution     : -10309.52162763
     total double counting contribution                 :  -5342.18226470

   Total contribution of atom 18 =-13580.48994934
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.76905743 p = -1151.23778124
                                d =  -209.71775310
       valence  contribution :  s =    -0.61986576 p =    -0.23934509
                                d =    -0.01370877 f =    -0.00356374
                                ns     -0.00003136
     single particle energies  spin  up    
         core   contribution :  s = -2756.27539615 p = -1152.37805511
                                d =  -210.98544845
       valence  contribution :  s =    -0.71176178 p =    -0.33908937
                                d =    -0.01507538 f =    -0.00384243
                                ns      0.00015105
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.30962411
                                   band energy per atom :   -1.9461326183

     coulomb  contribution :   0   5307.26726018  1      0.00122106
                               2     -0.00103522  3     -0.00371233
                               4     -0.00478437  5      0.00045038
                               6     -0.00001332
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.25938636

     ex.-cor. contribution :   0   -339.88951807  1      0.01199268
                               2     -0.00394349  3     -0.01368307
                               4     -0.01402232  5      0.00204515
                               6     -0.00003542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90716455

     eff. pot. contribution     : -10309.53253904
     total double counting contribution                 :  -5342.18031723

   Total contribution of atom 19 =-13580.48994135
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.76901446 p = -1151.23768405
                                d =  -209.71764460
       valence  contribution :  s =    -0.61984397 p =    -0.23941931
                                d =    -0.01370687 f =    -0.00356258
                                ns     -0.00002992
     single particle energies  spin  up    
         core   contribution :  s = -2756.27535329 p = -1152.37795816
                                d =  -210.98534042
       valence  contribution :  s =    -0.71173330 p =    -0.33915925
                                d =    -0.01507392 f =    -0.00384115
                                ns      0.00015065
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.30921461
                                   band energy per atom :   -1.9462196225

     coulomb  contribution :   0   5307.26572624  1      0.00120347
                               2     -0.00102729  3     -0.00371148
                               4     -0.00478715  5      0.00045006
                               6     -0.00001318
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.25784066

     ex.-cor. contribution :   0   -339.88956134  1      0.01198624
                               2     -0.00392262  3     -0.01367144
                               4     -0.01404341  5      0.00204593
                               6     -0.00003526
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90720189

     eff. pot. contribution     : -10309.53161039
     total double counting contribution                 :  -5342.18097162

   Total contribution of atom 20 =-13580.49018624
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.76901443 p = -1151.23768406
                                d =  -209.71764461
       valence  contribution :  s =    -0.61984397 p =    -0.23941931
                                d =    -0.01370687 f =    -0.00356258
                                ns     -0.00002992
     single particle energies  spin  up    
         core   contribution :  s = -2756.27535331 p = -1152.37795816
                                d =  -210.98534043
       valence  contribution :  s =    -0.71173330 p =    -0.33915925
                                d =    -0.01507392 f =    -0.00384115
                                ns      0.00015065
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.30921462
                                   band energy per atom :   -1.9462196240

     coulomb  contribution :   0   5307.26572618  1      0.00120347
                               2     -0.00102729  3     -0.00371148
                               4     -0.00478715  5      0.00045006
                               6     -0.00001318
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.25784060

     ex.-cor. contribution :   0   -339.88956132  1      0.01198624
                               2     -0.00392263  3     -0.01367460
                               4     -0.01404255  5      0.00204593
                               6     -0.00003526
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90720420

     eff. pot. contribution     : -10309.53161030
     total double counting contribution                 :  -5342.18097389

   Total contribution of atom 21 =-13580.49018851
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72555709 p = -1151.13648386
                                d =  -209.59359967
       valence  contribution :  s =    -0.60292185 p =    -0.22014863
                                d =    -0.01197933 f =    -0.00322510
                                ns     -0.00936931
     single particle energies  spin  up    
         core   contribution :  s = -2756.23194155 p = -1152.27691588
                                d =  -210.86260506
       valence  contribution :  s =    -0.69840546 p =    -0.32403730
                                d =    -0.01334239 f =    -0.00352564
                                ns     -0.00996913
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72402725
                                   band energy per atom :   -1.8969241358

     coulomb  contribution :   0   5319.15001581  1      0.00001819
                               2     -0.00276022  3     -0.00000219
                               4     -0.00590125  5      0.00000083
                               6      0.00000317
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.14137434

     ex.-cor. contribution :   0   -339.91473616  1     -0.00001921
                               2     -0.00982966  3     -0.00054311
                               4     -0.04266406  5     -0.00000021
                               6      0.00016254
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.96762987

     eff. pot. contribution     : -10322.09446378
     total double counting contribution                 :  -5342.92071931

   Total contribution of atom 22 =-13580.64474656
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72548737 p = -1151.13632788
                                d =  -209.59342859
       valence  contribution :  s =    -0.60290869 p =    -0.22013598
                                d =    -0.01197876 f =    -0.00322457
                                ns     -0.00937032
     single particle energies  spin  up    
         core   contribution :  s = -2756.23187169 p = -1152.27675926
                                d =  -210.86243280
       valence  contribution :  s =    -0.69839153 p =    -0.32401472
                                d =    -0.01334287 f =    -0.00352558
                                ns     -0.00996945
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72317005
                                   band energy per atom :   -1.8968624684

     coulomb  contribution :   0   5319.14762687  1      0.00001815
                               2     -0.00275908  3     -0.00000220
                               4     -0.00590081  5      0.00000082
                               6      0.00000316
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.13898692

     ex.-cor. contribution :   0   -339.91468082  1     -0.00001923
                               2     -0.00983063  3     -0.00056951
                               4     -0.04258677  5     -0.00000021
                               6      0.00016262
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.96752455

     eff. pot. contribution     : -10322.09300758
     total double counting contribution                 :  -5342.92154522

   Total contribution of atom 23 =-13580.64471527
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.72548740 p = -1151.13632788
                                d =  -209.59342859
       valence  contribution :  s =    -0.60290869 p =    -0.22013598
                                d =    -0.01197876 f =    -0.00322457
                                ns     -0.00937032
     single particle energies  spin  up    
         core   contribution :  s = -2756.23187163 p = -1152.27675926
                                d =  -210.86243280
       valence  contribution :  s =    -0.69839153 p =    -0.32401472
                                d =    -0.01334287 f =    -0.00352558
                                ns     -0.00996945
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72317003
                                   band energy per atom :   -1.8968624694

     coulomb  contribution :   0   5319.14762687  1      0.00001815
                               2     -0.00275908  3     -0.00000220
                               4     -0.00590081  5      0.00000082
                               6      0.00000316
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.13898691

     ex.-cor. contribution :   0   -339.91468076  1     -0.00001923
                               2     -0.00983059  3     -0.00056593
                               4     -0.04258945  5     -0.00000021
                               6      0.00016262
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.96752356

     eff. pot. contribution     : -10322.09300757
     total double counting contribution                 :  -5342.92154422

   Total contribution of atom 24 =-13580.64471424
                                   sum of band energies :  -31.7895482465
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.27560609
                                eV  : -3231122.73964131
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:35:06:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           18
25.03.2020 20:35:06:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:38:38:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:38:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   5.443292417148379E-010 -7.838505692248965E-006
  0.857733757395855     
 magnetic moment2 is   5.443282090088805E-010 -7.838505693131767E-006
 -6.868056794252780E-002
 magnetic moment is   1.225224045484086E-011 -4.000894754481579E-003
  4.274184673262782E-002
 magnetic moment2 is   1.225224045484086E-011 -4.000894754481579E-003
 -1.346777715459796E-002
 magnetic moment is  -3.461357758406407E-003  2.003031163899188E-003
  4.273090158978488E-002
 magnetic moment2 is  -3.461357758406407E-003  2.003031163899188E-003
 -1.349829076468292E-002
 magnetic moment is   3.461357844492662E-003  2.003031030776859E-003
  4.273090103307586E-002
 magnetic moment2 is   3.461357844492662E-003  2.003031030776859E-003
 -1.349829161914262E-002
 magnetic moment is  -3.237491047816676E-011  1.003328905603643E-003
  4.405972434690125E-002
 magnetic moment2 is  -3.237491047816676E-011  1.003328905603643E-003
 -1.920621819280308E-002
 magnetic moment is   8.796876773541186E-004 -5.117333260170243E-004
  4.401018490128017E-002
 magnetic moment2 is   8.796876773541186E-004 -5.117333260170243E-004
 -1.924330421764160E-002
 magnetic moment is  -8.796874379634807E-004 -5.117331189457766E-004
  4.401018536653634E-002
 magnetic moment2 is  -8.796874379634807E-004 -5.117331189457766E-004
 -1.924330400487376E-002
 magnetic moment is  -3.289857234049162E-011 -6.787382062297913E-007
  4.140518814205663E-002
 magnetic moment2 is  -3.289857234049162E-011 -6.787382062297913E-007
 -2.167034503716181E-002
 magnetic moment is  -4.446029308602384E-011 -2.336290573160579E-003
  0.134710554597884     
 magnetic moment2 is  -4.447888888800544E-011 -2.341270423317270E-003
 -0.114588828242568     
 magnetic moment is  -2.028433753542031E-003  1.166129916597342E-003
  0.134704971697353     
 magnetic moment2 is  -2.032746917645089E-003  1.168614375006063E-003
 -0.114598501956257     
 magnetic moment is   2.028434578952875E-003  1.166130127542572E-003
  0.134704970590297     
 magnetic moment2 is   2.032747743321559E-003  1.168614585795467E-003
 -0.114598503229798     
 magnetic moment is   3.446182167253288E-012  8.728210587906150E-007
  4.933598107261794E-002
 magnetic moment2 is   3.446182167253288E-012  8.728210587906150E-007
 -1.338092127419035E-002
 magnetic moment is   8.645939205461500E-011  9.613290322669464E-004
  0.254026158843304     
 magnetic moment2 is   8.645838363817437E-011  9.631840794561228E-004
  1.547452994066439E-002
 magnetic moment is   8.339701708893092E-004 -4.827770090005315E-004
  0.253983302810285     
 magnetic moment2 is   8.355857089654342E-004 -4.837131190402711E-004
  1.543788028979147E-002
 magnetic moment is  -8.339700508226350E-004 -4.827769915917989E-004
  0.253983301878272     
 magnetic moment2 is  -8.355855892863554E-004 -4.837131015906106E-004
  1.543787940389661E-002
 magnetic moment is   8.216729921822579E-005  1.381037230344184E-003
  0.227155054603626     
 magnetic moment2 is   8.203772867141637E-005  1.381252751565393E-003
 -8.730263519852857E-003
 magnetic moment is   1.240247319360251E-003 -6.143324950500038E-004
  0.227095352085371     
 magnetic moment2 is   1.240367576484307E-003 -6.145502140622160E-004
 -8.791096428389975E-003
 magnetic moment is  -1.240247206562878E-003 -6.143324580273714E-004
  0.227095352374393     
 magnetic moment2 is  -1.240367463714411E-003 -6.145501770235915E-004
 -8.791096160525966E-003
 magnetic moment is  -8.216687810442018E-005  1.381037314756637E-003
  0.227155052596962     
 magnetic moment2 is  -8.203730759597015E-005  1.381252835980976E-003
 -8.730265329599640E-003
 magnetic moment is   1.151452549387956E-003 -7.612511762430509E-004
  0.227137284661412     
 magnetic moment2 is   1.151701529778211E-003 -7.612472126077340E-004
 -8.749241933209542E-003
 magnetic moment is  -1.151452291921416E-003 -7.612513821498162E-004
  0.227137287052508     
 magnetic moment2 is  -1.151701272324905E-003 -7.612474185153466E-004
 -8.749239762280259E-003
 magnetic moment is  -1.177585507133438E-010 -4.138696622483904E-004
  0.232488682582575     
 magnetic moment2 is  -1.178054188759065E-010 -4.141461372992140E-004
 -2.018696614896642E-002
 magnetic moment is  -3.554182482768270E-004  2.084289103620271E-004
  0.232500833022251     
 magnetic moment2 is  -3.554201725051664E-004  2.084300958251328E-004
 -2.017389499423272E-002
 magnetic moment is   3.554182348327500E-004  2.084289883974304E-004
  0.232500835498456     
 magnetic moment2 is   3.554201590590301E-004  2.084301738608637E-004
 -2.017389272167294E-002
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.34561067  0.37637265    0.0308
          p =  0.09714601  0.11244558    0.0153
          d =  3.23916024  4.04766540    0.8085
          f =  0.00928851  0.00987741    0.0006
          ns  -0.01953844 -0.01696028    0.0026
          ------------------------------------
          TOT  3.67166700  4.52940075    0.8577
                           8.20106775
   ========================== 
      2   s =  0.24288128  0.25893594    0.0161
          p =  0.31176823  0.33067285    0.0189
          d =  0.16341606  0.17673240    0.0133
          f =  0.05905271  0.06831066    0.0093
          ns  -0.11440830 -0.12920003   -0.0148
          ------------------------------------
          TOT  0.66270999  0.70545183    0.0427
                           1.36816182
   ========================== 
      3   s =  0.24276928  0.25885367    0.0161
          p =  0.31148550  0.33039143    0.0189
          d =  0.16326264  0.17653333    0.0133
          f =  0.05900107  0.06823387    0.0092
          ns  -0.11417454 -0.12893745   -0.0148
          ------------------------------------
          TOT  0.66234395  0.70507486    0.0427
                           1.36741881
   ========================== 
      4   s =  0.24276928  0.25885367    0.0161
          p =  0.31148551  0.33039144    0.0189
          d =  0.16326264  0.17653333    0.0133
          f =  0.05900107  0.06823387    0.0092
          ns  -0.11417454 -0.12893745   -0.0148
          ------------------------------------
          TOT  0.66234395  0.70507485    0.0427
                           1.36741881
   ========================== 
      5   s =  0.16123019  0.17811239    0.0169
          p =  0.21195302  0.22790170    0.0159
          d =  0.10891551  0.11836190    0.0094
          f =  0.03690817  0.04175084    0.0048
          ns  -0.02413239 -0.02719260   -0.0031
          ------------------------------------
          TOT  0.49487451  0.53893423    0.0441
                           1.03380874
   ========================== 
      6   s =  0.16115170  0.17801567    0.0169
          p =  0.21193303  0.22785556    0.0159
          d =  0.10895104  0.11838846    0.0094
          f =  0.03691843  0.04176220    0.0048
          ns  -0.02413076 -0.02718827   -0.0031
          ------------------------------------
          TOT  0.49482344  0.53883362    0.0440
                           1.03365706
   ========================== 
      7   s =  0.16115170  0.17801567    0.0169
          p =  0.21193303  0.22785557    0.0159
          d =  0.10895104  0.11838846    0.0094
          f =  0.03691843  0.04176220    0.0048
          ns  -0.02413076 -0.02718827   -0.0031
          ------------------------------------
          TOT  0.49482344  0.53883362    0.0440
                           1.03365706
   ========================== 
      8   s =  0.21434021  0.23001689    0.0157
          p =  0.28742460  0.30399396    0.0166
          d =  0.14526552  0.15609193    0.0108
          f =  0.04117424  0.04761159    0.0064
          ns  -0.04336428 -0.05146890   -0.0081
          ------------------------------------
          TOT  0.64484028  0.68624547    0.0414
                           1.33108575
   ========================== 
      9   s =  0.81043257  0.85233463    0.0419
          p =  0.81750611  0.90356889    0.0861
          d =  0.08771590  0.09224047    0.0045
          f =  0.02075071  0.02238354    0.0016
          ns   0.01053952  0.01112784    0.0006
          ------------------------------------
          TOT  1.74694482  1.88165538    0.1347
                           3.62860020
   ========================== 
     10   s =  0.81046713  0.85235093    0.0419
          p =  0.81720783  0.90327722    0.0861
          d =  0.08771883  0.09224860    0.0045
          f =  0.02076118  0.02239440    0.0016
          ns   0.01055969  0.01114849    0.0006
          ------------------------------------
          TOT  1.74671466  1.88141964    0.1347
                           3.62813430
   ========================== 
     11   s =  0.81046713  0.85235093    0.0419
          p =  0.81720783  0.90327722    0.0861
          d =  0.08771883  0.09224860    0.0045
          f =  0.02076118  0.02239440    0.0016
          ns   0.01055970  0.01114849    0.0006
          ------------------------------------
          TOT  1.74671467  1.88141964    0.1347
                           3.62813431
   ========================== 
     12   s =  0.23575344  0.25611960    0.0204
          p =  0.31393660  0.33559009    0.0217
          d =  0.16145098  0.17594653    0.0145
          f =  0.05193058  0.05943139    0.0075
          ns  -0.11469885 -0.12937886   -0.0147
          ------------------------------------
          TOT  0.64837276  0.69770874    0.0493
                           1.34608150
   ========================== 
     13   s =  0.84657042  0.86442425    0.0179
          p =  1.26562484  1.50195405    0.2363
          d =  0.05060422  0.05163763    0.0010
          f =  0.01194535  0.01212329    0.0002
          ns   0.00263766  0.00126943   -0.0014
          ------------------------------------
          TOT  2.17738248  2.43140864    0.2540
                           4.60879113
   ========================== 
     14   s =  0.84654907  0.86441111    0.0179
          p =  1.26571754  1.50199643    0.2363
          d =  0.05060565  0.05163937    0.0010
          f =  0.01194553  0.01212277    0.0002
          ns   0.00264891  0.00128032   -0.0014
          ------------------------------------
          TOT  2.17746670  2.43145000    0.2540
                           4.60891670
   ========================== 
     15   s =  0.84654907  0.86441111    0.0179
          p =  1.26571754  1.50199643    0.2363
          d =  0.05060565  0.05163937    0.0010
          f =  0.01194553  0.01212277    0.0002
          ns   0.00264891  0.00128032   -0.0014
          ------------------------------------
          TOT  2.17746670  2.43145000    0.2540
                           4.60891670
   ========================== 
     16   s =  0.84815941  0.86524453    0.0171
          p =  1.29084885  1.50032754    0.2095
          d =  0.05066244  0.05202679    0.0014
          f =  0.01189500  0.01227307    0.0004
          ns   0.00419870  0.00304753   -0.0012
          ------------------------------------
          TOT  2.20576441  2.43291947    0.2272
                           4.63868388
   ========================== 
     17   s =  0.84812637  0.86521312    0.0171
          p =  1.29078910  1.50020198    0.2094
          d =  0.05066991  0.05203473    0.0014
          f =  0.01189299  0.01227166    0.0004
          ns   0.00421183  0.00306406   -0.0011
          ------------------------------------
          TOT  2.20569021  2.43278556    0.2271
                           4.63847576
   ========================== 
     18   s =  0.84812637  0.86521312    0.0171
          p =  1.29078911  1.50020198    0.2094
          d =  0.05066991  0.05203473    0.0014
          f =  0.01189299  0.01227166    0.0004
          ns   0.00421183  0.00306406   -0.0011
          ------------------------------------
          TOT  2.20569021  2.43278556    0.2271
                           4.63847577
   ========================== 
     19   s =  0.84815941  0.86524453    0.0171
          p =  1.29084886  1.50032754    0.2095
          d =  0.05066244  0.05202679    0.0014
          f =  0.01189500  0.01227307    0.0004
          ns   0.00419870  0.00304753   -0.0012
          ------------------------------------
          TOT  2.20576441  2.43291947    0.2272
                           4.63868388
   ========================== 
     20   s =  0.84811612  0.86521043    0.0171
          p =  1.29093803  1.50038417    0.2094
          d =  0.05067209  0.05204027    0.0014
          f =  0.01189390  0.01227118    0.0004
          ns   0.00420234  0.00305372   -0.0011
          ------------------------------------
          TOT  2.20582248  2.43295977    0.2271
                           4.63878225
   ========================== 
     21   s =  0.84811612  0.86521043    0.0171
          p =  1.29093802  1.50038417    0.2094
          d =  0.05067209  0.05204027    0.0014
          f =  0.01189390  0.01227118    0.0004
          ns   0.00420234  0.00305372   -0.0011
          ------------------------------------
          TOT  2.20582248  2.43295977    0.2271
                           4.63878225
   ========================== 
     22   s =  0.83925701  0.85889550    0.0196
          p =  1.32252708  1.53465955    0.2121
          d =  0.04838880  0.05084068    0.0025
          f =  0.01224364  0.01250522    0.0003
          ns   0.02402515  0.02202941   -0.0020
          ------------------------------------
          TOT  2.24644168  2.47893036    0.2325
                           4.72537204
   ========================== 
     23   s =  0.83925835  0.85889874    0.0196
          p =  1.32249546  1.53463649    0.2121
          d =  0.04838970  0.05084193    0.0025
          f =  0.01224293  0.01250714    0.0003
          ns   0.02402685  0.02202982   -0.0020
          ------------------------------------
          TOT  2.24641329  2.47891412    0.2325
                           4.72532741
   ========================== 
     24   s =  0.83925835  0.85889873    0.0196
          p =  1.32249546  1.53463649    0.2121
          d =  0.04838970  0.05084193    0.0025
          f =  0.01224293  0.01250714    0.0003
          ns   0.02402685  0.02202982   -0.0020
          ------------------------------------
          TOT  2.24641329  2.47891412    0.2325
                           4.72532741
 
############################################
 
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.201065
       spin moment in wigner seitz cell =    0.857734
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -0.798935
                              spin magnetic moment =     0.857734
 
  Atom    2 charge in wigner seitz cell =    1.368159
       spin moment in wigner seitz cell =    0.042742
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.368159
                              spin magnetic moment =     0.042742
 
  Atom    3 charge in wigner seitz cell =    1.367416
       spin moment in wigner seitz cell =    0.042731
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.367416
                              spin magnetic moment =     0.042731
 
  Atom    4 charge in wigner seitz cell =    1.367416
       spin moment in wigner seitz cell =    0.042731
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.367416
                              spin magnetic moment =     0.042731
 
  Atom    5 charge in wigner seitz cell =    1.033808
       spin moment in wigner seitz cell =    0.044060
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.033808
                              spin magnetic moment =     0.044060
 
  Atom    6 charge in wigner seitz cell =    1.033656
       spin moment in wigner seitz cell =    0.044010
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.033656
                              spin magnetic moment =     0.044010
 
  Atom    7 charge in wigner seitz cell =    1.033656
       spin moment in wigner seitz cell =    0.044010
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.033656
                              spin magnetic moment =     0.044010
 
  Atom    8 charge in wigner seitz cell =    1.331082
       spin moment in wigner seitz cell =    0.041405
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.331082
                              spin magnetic moment =     0.041405
 
  Atom    9 charge in wigner seitz cell =   49.628597
       spin moment in wigner seitz cell =    0.134711
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.371403
                              spin magnetic moment =     0.134711
 
  Atom   10 charge in wigner seitz cell =   49.628132
       spin moment in wigner seitz cell =    0.134705
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.371868
                              spin magnetic moment =     0.134705
 
  Atom   11 charge in wigner seitz cell =   49.628132
       spin moment in wigner seitz cell =    0.134705
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.371868
                              spin magnetic moment =     0.134705
 
  Atom   12 charge in wigner seitz cell =    1.346079
       spin moment in wigner seitz cell =    0.049336
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =     1.346079
                              spin magnetic moment =     0.049336
 
  Atom   13 charge in wigner seitz cell =   50.608789
       spin moment in wigner seitz cell =    0.254026
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.391211
                              spin magnetic moment =     0.254026
 
  Atom   14 charge in wigner seitz cell =   50.608914
       spin moment in wigner seitz cell =    0.253983
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.391086
                              spin magnetic moment =     0.253983
 
  Atom   15 charge in wigner seitz cell =   50.608914
       spin moment in wigner seitz cell =    0.253983
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.391086
                              spin magnetic moment =     0.253983
 
  Atom   16 charge in wigner seitz cell =   50.638681
       spin moment in wigner seitz cell =    0.227155
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.361319
                              spin magnetic moment =     0.227155
 
  Atom   17 charge in wigner seitz cell =   50.638473
       spin moment in wigner seitz cell =    0.227095
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.361527
                              spin magnetic moment =     0.227095
 
  Atom   18 charge in wigner seitz cell =   50.638473
       spin moment in wigner seitz cell =    0.227095
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.361527
                              spin magnetic moment =     0.227095
 
  Atom   19 charge in wigner seitz cell =   50.638681
       spin moment in wigner seitz cell =    0.227155
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.361319
                              spin magnetic moment =     0.227155
 
  Atom   20 charge in wigner seitz cell =   50.638780
       spin moment in wigner seitz cell =    0.227137
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.361220
                              spin magnetic moment =     0.227137
 
  Atom   21 charge in wigner seitz cell =   50.638780
       spin moment in wigner seitz cell =    0.227137
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.361220
                              spin magnetic moment =     0.227137
 
  Atom   22 charge in wigner seitz cell =   50.725370
       spin moment in wigner seitz cell =    0.232489
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.274630
                              spin magnetic moment =     0.232489
 
  Atom   23 charge in wigner seitz cell =   50.725326
       spin moment in wigner seitz cell =    0.232501
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.274674
                              spin magnetic moment =     0.232501
 
  Atom   24 charge in wigner seitz cell =   50.725326
       spin moment in wigner seitz cell =    0.232501
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  18 charge neutrality in unit cell =    -1.274674
                              spin magnetic moment =     0.232501
 
                    TOTAL mag. moment in unit cell =     4.435137
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  9.5250D-02  ,  v+ - v- =  2.6369D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.5300D-01  ,  v+ - v- =  2.6107D-03
      rms-error for atom  2 :v+ + v- =  1.2366D-02  ,  v+ - v- =  3.1925D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.2192D-02  ,  v+ - v- =  9.3812D-04
      rms-error for atom  3 :v+ + v- =  1.2555D-02  ,  v+ - v- =  3.1924D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.2822D-02  ,  v+ - v- =  9.4173D-04
      rms-error for atom  4 :v+ + v- =  1.2555D-02  ,  v+ - v- =  3.1924D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.2822D-02  ,  v+ - v- =  9.4173D-04
      rms-error for atom  5 :v+ + v- =  2.7072D-02  ,  v+ - v- =  3.7653D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.2496D-02  ,  v+ - v- =  5.2667D-04
      rms-error for atom  6 :v+ + v- =  2.6973D-02  ,  v+ - v- =  3.7654D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.2924D-02  ,  v+ - v- =  5.3048D-04
      rms-error for atom  7 :v+ + v- =  2.6973D-02  ,  v+ - v- =  3.7654D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.2924D-02  ,  v+ - v- =  5.3048D-04
      rms-error for atom  8 :v+ + v- =  8.3071D-03  ,  v+ - v- =  3.4969D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  8.8527D-03  ,  v+ - v- =  6.6117D-04
      rms-error for atom  9 :v+ + v- =  1.4184D-02  ,  v+ - v- =  3.7559D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  8.8097D-03  ,  v+ - v- =  5.5825D-04
      rms-error for atom 10 :v+ + v- =  1.4272D-02  ,  v+ - v- =  3.7559D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  9.0124D-03  ,  v+ - v- =  5.5908D-04
      rms-error for atom 11 :v+ + v- =  1.4272D-02  ,  v+ - v- =  3.7559D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  9.0124D-03  ,  v+ - v- =  5.5908D-04
      rms-error for atom 12 :v+ + v- =  3.2176D-02  ,  v+ - v- =  3.1668D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.5003D-02  ,  v+ - v- =  6.8065D-04
      rms-error for atom 13 :v+ + v- =  2.2774D-02  ,  v+ - v- =  3.0808D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  1.3955D-02  ,  v+ - v- =  5.5244D-04
      rms-error for atom 14 :v+ + v- =  2.2798D-02  ,  v+ - v- =  3.0809D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  1.3945D-02  ,  v+ - v- =  5.5610D-04
      rms-error for atom 15 :v+ + v- =  2.2798D-02  ,  v+ - v- =  3.0809D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  1.3945D-02  ,  v+ - v- =  5.5610D-04
      rms-error for atom 16 :v+ + v- =  8.4110D-03  ,  v+ - v- =  3.1030D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  6.5131D-03  ,  v+ - v- =  7.7348D-04
      rms-error for atom 17 :v+ + v- =  8.3894D-03  ,  v+ - v- =  3.1030D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  6.4599D-03  ,  v+ - v- =  7.4768D-04
      rms-error for atom 18 :v+ + v- =  8.3894D-03  ,  v+ - v- =  3.1030D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  6.4599D-03  ,  v+ - v- =  7.4768D-04
      rms-error for atom 19 :v+ + v- =  8.4110D-03  ,  v+ - v- =  3.1030D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  6.5131D-03  ,  v+ - v- =  7.7348D-04
      rms-error for atom 20 :v+ + v- =  8.4105D-03  ,  v+ - v- =  3.1030D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  6.5273D-03  ,  v+ - v- =  7.9276D-04
      rms-error for atom 21 :v+ + v- =  8.4105D-03  ,  v+ - v- =  3.1030D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  6.5273D-03  ,  v+ - v- =  7.9276D-04
      rms-error for atom 22 :v+ + v- =  5.3190D-03  ,  v+ - v- =  3.3942D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  5.0831D-03  ,  v+ - v- =  4.3292D-04
      rms-error for atom 23 :v+ + v- =  5.3007D-03  ,  v+ - v- =  3.3942D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  5.0811D-03  ,  v+ - v- =  4.3591D-04
      rms-error for atom 24 :v+ + v- =  5.3007D-03  ,  v+ - v- =  3.3942D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  5.0811D-03  ,  v+ - v- =  4.3591D-04
      ITERATION  18 average rms-error : v+ + v- =  4.1504D-02
                                        v+ - v- =  3.3268D-02
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.158566710388157E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.808990943056585E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.056823074924580E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  1.934369382341905E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.125248629171485E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.339497245629770E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.207256756421295E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.745351839134070E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.397467059153355E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.834020502280866E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.392804340500217E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.606179600846242E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.791120160047886E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  2.058674972693658E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.790359151713270E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.709504902258009E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.237270120328574E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  4.079369238502165E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.095667554449845E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.376411315489800E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.285908351524760E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.086836668599644E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  7.895033566327307E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  7.730803888576326E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.923829871131887E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.087551465584348E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.221589048680016E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.110381984630171E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  8.090366920437953E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.643104488144428E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.072752105382327E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.257855308554950E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  7.690445641230872E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  7.967839385863299E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.791518747622530E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  4.701188650445604E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  8.973599391681994E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.590804704678061E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  3.790863223839131E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.761145759612819E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  7.417023492297864E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.809082366071968E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.532400832209448E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.586437486432333E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.223630146429939E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.911385107077479E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.901635247244492E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.376568122577340E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.600587574298323E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  3.676098288284870E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.199597730836567E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.528648556317576E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.526427548478995E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.146771055963582E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  6.160141402892774E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  8.917780946421641E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.102404978153695E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.042857418774576E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  3.659918402773141E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.711238813439886E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.189098994391397E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  3.872795338278839E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.592483123877876E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  3.004147321825935E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  5.218875112686912E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  1.105016905296163E-006
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  5.399242085290905E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.837087567803300E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  3.190724364432075E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  4.161343598320898E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  4.894330067130249E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  9.071464190620442E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  3.083817196380700E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  3.178931358364764E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  3.399386256521152E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  1.818829622771863E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  5.120420438826395E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  3.279302308214797E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  5.334932396969807E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  3.872795045826353E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.592074825601983E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  3.004147209561739E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  5.218876176217951E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  1.104396909036590E-006
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  5.399241782438499E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.837087472251643E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  3.190724327639231E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  4.161343375705017E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  4.895195468104107E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  9.070520100405902E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  3.083817155652188E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  3.178931813490932E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  3.399386066203785E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  1.818829511989532E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  5.120241930934071E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  3.279302054969462E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  5.334933588495764E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  5.796802993859152E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.501409800701004E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.247497168437176E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  7.048374154408334E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.721031613703593E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  8.024427381060533E-004
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  7.551991055107320E-012
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  4.134653675599321E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.348418703256124E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.538383154091295E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  5.380694443994327E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.440095716236587E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  3.413939864797583E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.270627120746079E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  4.843730527227077E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.137408656797613E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  5.387948499736478E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.484759862033188E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  1.725464265871564E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  9.301960001096097E-012
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.044352132798614E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  8.523066195455741E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.358197295978628E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.297853191703527E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.468075839719080E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  2.330835766621483E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.585077873279725E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  5.251277044243351E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.904848696074229E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  5.363885676914074E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.524321809237157E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  7.048496719708843E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.281643877870081E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  8.041929891423503E-004
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  6.133448343236917E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.244685907511829E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  4.183697263855033E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  2.947771264400267E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  2.688494613271200E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  4.647409721590814E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  1.716069026065703E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.393320307382263E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  2.417439091096166E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  2.014741428241462E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  5.395380921845459E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  1.727341891521292E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.612109296100803E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.352327841806253E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.366075988520802E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  3.305674785905934E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  4.646158848543308E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  4.532438596184407E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.163733113502434E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  2.028025961959288E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  2.625100757056427E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.429381966272663E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  2.683153772246417E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  5.721373241497704E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  7.048496434646850E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.281643679052199E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  8.041929523907274E-004
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  6.133448177894732E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.244667200394733E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  4.183699012228902E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  2.947772517011838E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  2.688494516487927E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  4.647411647183679E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  1.716068971074283E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.394028426728925E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  2.417439025124026E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  2.014741302903544E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  5.395380774802538E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  1.727341774614909E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.612109154019154E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.352321853002281E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.367397477339236E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  3.305674695411066E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  4.646161341315786E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  4.532439327470860E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.163733063950006E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  2.028027544612232E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  2.625100657008848E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.429391486786101E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  2.683153677617218E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  5.721375976412991E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.951952404074227E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.584879799046651E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.580668541658380E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  7.029093889193073E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.550392179535644E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.853763634494404E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  9.904480324429662E-011
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.435248719265149E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.077893195824507E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.262888932961064E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.129647093450747E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.526811256159374E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.510925436102904E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  9.023448584408857E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.929222765478237E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.638274557115107E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.708285501525381E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.406692477714414E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.752849313929327E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.151080753420338E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.454849591781700E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.295452826873782E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.142603190865316E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  1.019110650768532E-006
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.265618838311408E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.271531719013983E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.302756683586470E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.165196993512884E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  9.431763114887998E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  1.000746751761732E-010
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.945145411472977E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  5.996029917053516E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.079086618242989E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.461063071259201E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.444869488422298E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.265818237455389E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.266654613188170E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.434081832039327E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  5.853833923151696E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.718777621092867E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  4.978586928222735E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  3.437834702508704E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.166232255824523E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.584074726577859E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.880554993517085E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.534439643577093E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  3.508717938704503E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  8.338218846120593E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  4.131505885551970E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  9.438420334790661E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  3.392774277599474E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  2.973634836530267E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  5.053175883548909E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  5.282829530409235E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.385695492638416E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  2.961449060353425E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.604869481519877E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.322947261003967E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.306646117740042E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  2.060724305480779E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.243927322849117E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.343148293037046E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  5.283408152028062E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.492998635816493E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  4.095965915417262E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.919498670550396E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  2.544991622061392E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  6.725645610046051E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.738732468206402E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  2.961839935847696E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  6.984211096560579E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  2.937120928319279E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  3.558839247090204E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  1.750368831339282E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  3.040090817856554E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  2.062351856528915E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.689499228988410E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  1.683845027221627E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.462264784984237E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  2.577599975570657E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  3.751452660264741E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.469005021261718E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.567704854253719E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  3.421966301584245E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  2.580871279905378E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.657870122973665E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.040271912550393E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  2.211639232584478E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  3.539103008933719E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  2.641554633613169E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  4.577770507804523E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  2.053371319931700E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.600702715932634E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.269429317830251E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  1.781622717297767E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.738732261883196E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  2.961839927573399E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  6.984305522274889E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  2.937121425799606E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  3.558840180738623E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  1.750368748395688E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  3.040091677004732E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  2.062351696693378E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.689676576249389E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  1.683844865960561E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.462264719968090E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  2.577600245192271E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  3.751452479994744E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.469005034755005E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.567735998997707E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  3.421966096597898E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  2.580871593003890E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.659127818556805E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.040271987533062E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  2.211640359348512E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  3.539102369044351E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  2.641554534265516E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  4.577770614927890E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  2.053371234443998E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.601421972058160E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.269429235415296E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  1.781621284667989E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  4.192782088687609E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.654556793319158E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.682497295940567E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  4.483230722445117E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.879162004265533E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  1.073472084479417E-006
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.225890317983060E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  8.198209783997383E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.924853888677999E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.685312467499476E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.356920578808698E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.964291948343201E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.036305228596429E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  7.983028368687369E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.898324537520019E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  9.477326573875020E-007
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.173574652318620E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  4.017078039107789E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  8.012895038165377E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.075616697996189E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.805140580741886E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.219585516397728E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.373514043325919E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.127452627698664E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.297636079022980E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.448371997216650E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.307236354697180E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.289044276218159E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  6.405550832974893E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.361992358961192E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.327120119109368E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.584223078516801E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.842117121169095E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.489753835178630E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.016871180265967E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.083006349880928E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.433815293903814E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.495457371887686E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.534624710382357E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.363251083683337E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  2.001766858888529E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  1.013153327966153E-010
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.564900389083167E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.441672276451670E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.369078978630097E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.130192349103886E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  3.052528463848271E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.742518248041224E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.920549885172681E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.186978741525112E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  3.515767814768340E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.176517001125616E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.107418751428375E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.083421370617367E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.245044978073300E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.258532847066574E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.032836642933960E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  1.029405952112798E-004
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.896779215232478E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.039474528366325E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  5.919469367874952E-005
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.093483730042224E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.292981687928090E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  7.476058390620169E-005
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.532452809951410E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.294824562823988E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.928832375418799E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  9.154864159129699E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.752572618997000E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  1.011589749079438E-004
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  1.031130113259438E-004
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.462047260361766E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  1.028587252016738E-004
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.536689968866420E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  2.654492298125668E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.142709135390327E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.462896916336323E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  5.878079351593616E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  1.730326507517770E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  8.988461093100702E-005
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.973184330762024E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  5.472731919656543E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  9.386431454145611E-005
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.135738005777065E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.624559430223169E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  5.169490262976443E-005
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  3.061504304013294E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.628750415858659E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  2.971965522661370E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.127095169054615E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  3.771577774678332E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  6.492475355209129E-005
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  6.470404803835771E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.020766719357270E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  6.467660723695586E-005
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  5.183835568377243E-005
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.752569934856772E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  1.011589717935678E-004
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  1.031130059081561E-004
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.461985063752737E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  1.028589664139588E-004
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.536689870759392E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  2.654495335819274E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.142709057521723E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.462775645205214E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  5.878079279125587E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  1.730326654323783E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  8.988470389249801E-005
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.973185816585353E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  5.472731446405424E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  9.386445096461749E-005
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.135737954332324E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.625694413960513E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  5.169490000909283E-005
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  3.061515304240337E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.627398259329589E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  2.971965431358470E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.127095345556441E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  3.771577564566322E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  6.492479651405407E-005
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  6.470404568998082E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.019754719592634E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  6.467660148404819E-005
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  5.183833109343640E-005
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  8.525594196186757E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.104848808044561E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  1.764979659831493E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  1.959029308617788E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  2.192631060914276E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  6.626532809731602E-005
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  8.166547011642688E-005
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.455181336210147E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  2.140428829185680E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  5.839981760614321E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  4.767797597242322E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  2.271245467250571E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  6.998022414202869E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  1.000247446967186E-005
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  9.457615862584245E-005
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  8.136549325132622E-005
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.421365568407692E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.574505309810184E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  2.073881949324317E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.356100394873485E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  6.163895922526269E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.503582852628192E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  1.919475872164829E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.701352872384781E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  5.903300538725147E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  2.400537404536945E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.323729630853724E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  4.178169076576167E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  3.019505583547444E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.348976713820933E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.630211866765826E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  1.609147996694676E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  2.716930263245989E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  4.497155423951227E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  2.098121091551705E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  9.892589810710056E-005
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  9.295235353693195E-005
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  6.522814610855494E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  1.672954983209424E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.546959364020269E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  4.617122529533099E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.451151429507675E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  8.146219534016405E-005
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  8.001552526889329E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  1.736079732835541E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  5.019623375356769E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  3.765782621789307E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  1.025104284789400E-005
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.557041209073181E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  2.968717631990433E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  2.650943080104063E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  4.768510074944414E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.394400804893820E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  3.336144449257704E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  4.269127035653087E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.510475915440330E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  4.104286783340531E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  8.513030220754559E-005
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  5.876395955447096E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  3.601069311600871E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  2.755379062842698E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  1.887657145365578E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.277463035294810E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.488021773189631E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  4.198081186685962E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  1.575965665327230E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.354536385847306E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  3.913209850834092E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  2.098116149388353E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  9.892589228516850E-005
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  9.295162184505552E-005
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  6.522822654328041E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  1.672954752520478E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.546960323742857E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  4.617122396408080E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.451149687896528E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  8.146191003850320E-005
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  8.001561766866646E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  1.736079530548498E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  5.019591480929130E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  3.765781775130581E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  1.025115717317208E-005
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.557040427240716E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  2.968717508308913E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  2.650954986818400E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  4.768488760885856E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.394400478463707E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  3.336132765095163E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  4.269126703883026E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.510489666970569E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  4.104286322222735E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  8.513009374861382E-005
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  5.876377071510257E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  3.601068829672696E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  2.755381338309553E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  1.887649750210579E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.277462912999074E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.488015134510241E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  4.198080924053576E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  1.575955053834414E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.354535796211509E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  3.913193939183766E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  8.525594217921051E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.104842288940036E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  1.764979560894116E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  1.959033229172557E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  2.192631066560550E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  6.626521394376364E-005
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  8.166547341285454E-005
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.455182679114179E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  2.140432716446996E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  5.839992787874902E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  4.767797265098559E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  2.271213738797738E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  6.998022774248733E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  1.000236864829418E-005
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  9.457614271619059E-005
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  8.136548114185512E-005
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.421382363918721E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.574517496118101E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  2.073881905641283E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.356089686482770E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  6.163895303805030E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.503568901853313E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  1.919475865585492E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.701340939086138E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  5.903317395238804E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  2.400537205812013E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.323735703912753E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  4.178162146602878E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  3.019505304574203E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.348986771841043E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.630211708856087E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  1.609158083505625E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  2.716930318116313E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  4.497139873714216E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.048682117178553E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.314447483806716E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  1.088057470223320E-004
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  8.508160419682039E-005
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  7.110719732543848E-005
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.981429542128789E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  2.271133625071148E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  4.036043012340085E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.458674603257314E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.396483641240557E-005
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  4.732109026294331E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  3.913618675148643E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  3.225513018199911E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  8.246029351172933E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  1.027575622668712E-005
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  4.309841948769957E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  5.799354289801760E-005
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  2.862270671819673E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  5.815261230112717E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  3.764022488182240E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.516271791187717E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  2.074620829430791E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.593482545983260E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  4.222976303543498E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  5.760926516801524E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  5.881231005131191E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  4.541058506622791E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.062788962415864E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.188834829580132E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.464256824286213E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  2.839143834935791E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  3.405353240077361E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  1.595191942209274E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  3.305221019528434E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.489651150329582E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.048682710013498E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.314443830443862E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  1.088057392752454E-004
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  8.508167314236663E-005
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  7.110726231370528E-005
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.981430135423134E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  2.271134534118691E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  4.036043471477243E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.458676075183199E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.396458219554115E-005
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  4.732111313498004E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  3.913618598697297E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  3.225491605949806E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  8.246030014486071E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  1.027564826584690E-005
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  4.309840983836060E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  5.799354155416763E-005
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  2.862254401543792E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  5.815241913446985E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  3.764023012436741E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.516272840370580E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  2.074620611147030E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.593469053922941E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  4.222977048508642E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  5.760906604591088E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  5.881248569440714E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  4.541058728367893E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.062783981267106E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.188840102069127E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.464256831114635E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  2.839134640164141E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  3.405353401881683E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  1.595202097134501E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  3.305221326404728E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.489658595467473E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  8.312288917273206E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.307259769544646E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.741573257123401E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  1.782222960752321E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  7.661288414138633E-005
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  8.884105419127861E-012
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.196150493420777E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  7.474041626822654E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  1.300859639242442E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  3.505393291246846E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.194137963877981E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.481804727843703E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.736414659035886E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.392879184306286E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  7.848203055229958E-005
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.236763247238188E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  2.647101404603782E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  2.608487668754254E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.235107849741005E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  2.424035911909540E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.213539783099925E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.456672044376169E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.869468701542842E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  2.888746299401514E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  7.929730016520363E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.665003082539290E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  3.466383931770090E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  9.261883612243999E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.676102130896649E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  4.006182420526143E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.550851170804444E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.252734022449303E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  8.022341676055781E-005
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.405559095025872E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  6.830155826658339E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.210712841639430E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  2.056542787864517E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.414933595818929E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  1.511451190657594E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  8.650647152065484E-005
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.566959325609694E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  8.772405970901604E-005
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  7.747936874193793E-005
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.128033930215434E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.075016291507612E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  1.922435224872615E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  6.598699801796343E-005
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.694929262529301E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.373716618607780E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  6.511263196932989E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  8.929946460973358E-005
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.588785825607057E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  3.794495245661803E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.470686080266033E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.343392051054002E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.322565923372333E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  3.151267800803936E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  2.444255493410614E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  6.961605815323569E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  7.146441895611495E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.878730614358714E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.268531228531898E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  4.000651936737086E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.234396771015044E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.729418974509039E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.314942274884541E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.864623772897924E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  2.017192239539341E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.213971378038169E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  6.136699420983510E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  4.064956349413750E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  7.236929370773696E-005
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  3.530912743912470E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.191693045115535E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.222348138462267E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  3.507644460906150E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  1.511444888001814E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  8.650645065829428E-005
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.566947950429093E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  8.772406506061158E-005
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  7.747937171802928E-005
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.128034169889081E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.075016178078675E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  1.922435105620595E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  6.598700998830936E-005
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.694971362356755E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.373696971114299E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  6.511264075451593E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  8.929945931529126E-005
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.588781082481136E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  3.794495557804923E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.471808013393575E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.343391741945317E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.322565787752027E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  3.151269122665183E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  2.444255697688972E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  6.961608712198932E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  7.146441668329664E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.878730408027622E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.268531223775357E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  4.000651496149894E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.234354519020757E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.729417891389196E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.314943313395502E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.864853293265321E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  2.017192332436095E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.213941085499788E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  6.136674461701321E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  4.064955990856036E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  7.236929045024373E-005
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  3.530912487786937E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.177945750082376E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.222347821045319E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  3.507616490721906E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  9.733103058716847E-006
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.900543522179233E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  1.936672142528519E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.456531421799695E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.253197825527632E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.764459891905889E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.734689894317861E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.658312757608228E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.106333147747045E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.606389973486504E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.715011606290448E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.559895178814191E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.259952311029960E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.549601802727885E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.826521203775902E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.372900502086011E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.058938826413543E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.594300698104862E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  9.238668543926765E-007
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.372000892120297E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.183134075371604E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.105824215779294E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  7.754429993807943E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  7.286820619663272E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.493613354636150E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.102256988461178E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.032925680675495E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.084066495296626E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  4.915691884802753E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.127371462794904E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.519040127115507E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  9.104728686036872E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.064105157848272E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  6.934352301012123E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.759420822925531E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  5.239636321236578E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  7.832703600338646E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.670970078941194E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.070462577537396E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.137055512682925E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  8.219137178692367E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.900599838013031E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.816475049003626E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.742246044284505E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.231566281051441E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  1.985528617501967E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.096912911899874E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  9.642157731389330E-011
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.669768881277841E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  4.226758306446798E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.190662811304187E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.299411654308702E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.122950202491884E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.134433162510956E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  6.327417192846916E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.152464548250422E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.100291588862959E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.104559557903439E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  4.019267229667453E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.774943622897066E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.238698473240265E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  3.387549309145733E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.876739394398983E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  3.076540090185355E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  5.348763780599765E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.367349775030576E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  5.832695589930543E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  2.101171276266774E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  3.649298575475979E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  3.917866848590044E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.924651189756714E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  6.369814878455482E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  3.168619102706344E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  3.490171014704087E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  3.397695652014575E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  1.996493297106559E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.457762771163256E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  3.423107688900808E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  5.481799908471503E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  3.387549153989068E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.876298580925444E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  3.076540020040365E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  5.348764808853244E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  3.361748337131706E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  5.832695418845924E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  2.101171225884414E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  3.649298415862312E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  3.917866682420158E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.925089332442513E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  6.368877794644657E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  3.168619098715572E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  3.490171639012049E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  3.397695503727691E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  1.996493195713428E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.457470360684758E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  3.423107473256603E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  5.481801215357904E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  7.547739416041388E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  2.908462402185904E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.729727477386440E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  6.904186492484582E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.835309927521708E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  8.000585833453230E-004
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.027499308991089E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  4.955948342640061E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.380913923966450E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  9.834808048863207E-011
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  5.785121473402290E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.477124834877357E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  3.993274353365041E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.354214208610781E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  5.045608038255747E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.136207369282853E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  5.277111819161564E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.836035547824317E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  2.048657501147253E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.078440359138478E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.064876717434003E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.132134715988472E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.265364258022754E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.384280535263743E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  8.029908590460811E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  2.393820136112269E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.683059008415735E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  5.627721608370556E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.925550309570530E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  5.700085915631852E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.658794278195228E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  6.901541250228358E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  4.050922612811962E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  8.016098577764862E-004
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  6.074432178995873E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.333515572175919E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  4.360141551630962E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  3.451196885896814E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  2.886729950325237E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  4.995617025789649E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  2.008221933572896E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.945790303827480E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  2.515518796142375E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.802795247893143E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  5.284932360599360E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  2.051418094027953E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.652200496201624E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.534012335439372E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.294761407911945E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  3.455845002576152E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  4.937312166709247E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  4.857505837511270E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.194982591018355E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  2.082191211853446E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  2.808790740122348E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.634139185500048E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  2.847907325582053E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  5.989339322191472E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  6.901541073006639E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  4.050922334685801E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  8.016098428693681E-004
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  6.074432092842646E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.333500888787784E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  4.360143644729322E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  3.451198258133129E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  2.886729822078479E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  4.995618982000026E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  2.008221898385276E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.946512712102745E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  2.515518705018477E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.802795170594147E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  5.284932262504680E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  2.051417965948801E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.652200397901050E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.534004784275565E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.296122312210640E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  3.455844883936628E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  4.937314838999901E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  4.857506742499405E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.194982535494280E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  2.082192815987688E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  2.808790627277279E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.634046908201841E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  2.847907213590149E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  5.989342260384691E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.140745527984650E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  9.838411009438310E-011
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.759602538997419E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.916067421895392E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  9.022944675842178E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.047166609556330E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  1.005033999680556E-010
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  4.956506137794196E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.196084436151922E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.771213793192990E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.181508685689939E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.601205147450917E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.674081390362593E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.734264884539262E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.985357371716553E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  3.000783503380484E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.785412452773157E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.039792432438969E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  1.976873865912387E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.619447243668402E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.724902289565372E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.489941996767773E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.203890859162080E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.204788151543054E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.301493820765310E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.625615976539225E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.841432584513451E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.169053100864675E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.445277087670250E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.058468465610316E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.374015971668212E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  6.651236187454814E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.470909958920443E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.628070433857803E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.455894095256347E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.587698806884093E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.350493908841696E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  3.924153394510345E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  5.888972493769133E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.354120279217819E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  5.831973150923814E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  4.254553608288130E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.703066348177450E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  2.480161814209310E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.642692642881752E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  7.853385780628762E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  3.621594595503398E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.772530039612744E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  3.704668968448230E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  1.021890636042739E-010
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  3.010377924239003E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  2.905142414509596E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  4.763792122469621E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  4.667690349753827E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  6.210633412610645E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  2.565766862830588E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.943372240441594E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.314248071258815E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.617913580079878E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  1.919620817835442E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.864385016470299E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.904353345169231E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  5.592360203288743E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.618153125657926E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  4.319851443247692E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.822289623928762E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  2.633748662141514E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  6.539279827770598E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  2.150866421063734E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  3.663329761019344E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.567974305818822E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  2.606125361458044E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  3.189041648731562E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  1.805909993150592E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  3.136589978841568E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  1.848152269212604E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.109952859009320E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  1.491711756721804E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.426334312432729E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.235276066934408E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  3.991435236141227E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.270200318758620E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.719639005131425E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  3.155095025657915E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  2.521865057968518E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.181426788095534E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  9.697866987366116E-005
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  2.289182756708184E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  3.731817814126861E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  2.795885293422742E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  4.844256619215000E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  2.165706552416815E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  4.037392873459197E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.313508186341941E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  1.659332291036290E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  2.150866174404051E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  3.663329997983703E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.568063132601028E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  2.606125964931601E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  3.189042577524403E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  1.805909919214509E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  3.136591038031186E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  1.848152193525186E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.110124323198719E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  1.491711657717003E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.426334245808195E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.235276313630520E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  3.991435080577872E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.270200321149002E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.719668341170984E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  3.155094872965181E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  2.521865326055881E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.182714311394937E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  9.697867480059383E-005
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  2.289183885025911E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  3.731817211032266E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  2.795885212101307E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  4.844256776679479E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  2.165706496386049E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  4.038127856338347E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.313508117589856E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  1.659330975806201E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  3.454684398979232E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.348515564814198E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.896983039738831E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.607971414242850E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  7.982723799737562E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  1.348922753014097E-006
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  7.874113907229655E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  7.880496409544044E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.151909285456079E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.790674520350972E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.552270234163776E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.055423702114942E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.030089292251435E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  8.794789015768596E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.907858766978135E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  8.323066441098096E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.201707694199253E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  5.205842347970246E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  7.129564138420900E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.962849892307338E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.259520674370003E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.977770623622314E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.824995914969785E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.147092965468008E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.401152844443395E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.347358858017148E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.274816756513682E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287404662026426E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  6.593588642955887E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.838224774925630E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.546531224821935E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.824055432128042E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.316302111224923E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.487838788412219E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.012248749681852E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.156781120359840E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.641178917599905E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.521860892514128E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.534091943673074E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  4.022325761827071E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.271607394868022E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  9.114672115331315E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.093906637454462E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.655290846878697E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.346403900377138E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.082530144565148E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  2.838325305603167E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.678533603217817E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.365338390743323E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  1.832760592146922E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  9.441167150979703E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.194201361406636E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.112100099088512E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  9.196611898665216E-005
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  8.138223701573074E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  2.654405221248559E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  6.975701218751911E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.528497888964260E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.012742771479629E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.003972956055923E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  7.296493967706442E-005
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.364023068469609E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.151418371431341E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  8.208515012089927E-005
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.461505059680685E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.412473834858521E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.739378134502178E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.928105095503603E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.987065221657875E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.143464919497669E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.301223939608534E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.233313294162770E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.588506575230231E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.432148381793868E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  2.470047316525067E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  9.144194019130635E-005
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.395856853054056E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  9.115709442808163E-005
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.630130356487032E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.328299865889066E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  2.317165755400111E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  4.655302770376092E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  7.966615378247283E-005
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.332515756178940E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.484410364648704E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  7.630913245532502E-005
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  8.177618421185215E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.463099401362413E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  3.648203654470990E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.229078928351378E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  4.124380749963994E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  7.123591538448191E-005
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  7.051493943844346E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.810543340275251E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  5.511337191418432E-005
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  6.376155616561934E-005
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.987062804879389E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.143464886432251E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.301223825737228E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.233508120876347E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.588509080521122E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.432148285441479E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  2.470050284768421E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  9.144193315651929E-005
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.395750145567021E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  9.115709160951176E-005
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.630130316639532E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.328301944105274E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  2.317167444047926E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  4.655302432062968E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  7.966630339059722E-005
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.332515683513050E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.485529702985334E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  7.630913044113533E-005
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  8.177637032115500E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.461809759054319E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  3.648203498066389E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.229079045411208E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  4.124380540308943E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  7.123601957981648E-005
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  7.051493707970280E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.809598225912488E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  5.511336917622340E-005
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  6.376152935854857E-005
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.961845974789709E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.626401680533449E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.758217478108572E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  6.424519244896375E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  1.969739116143949E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  1.362156585477942E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  7.708531823971972E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.342850348924045E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  9.559944393040851E-005
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  7.177517050079435E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  5.403431431426277E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  6.612214951441212E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.101386785073757E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.320743881965718E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  3.472853925547882E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.480218589560410E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  3.096558024020341E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  2.791890576206234E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  4.599495814584315E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  3.187313071581985E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  4.520013892889812E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.858013776268722E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  9.719856672559178E-005
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  5.131009438356536E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  5.396770274002571E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  2.388694522614618E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  5.876628617119101E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.319620531805604E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.780991418463690E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.256104744800537E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  3.027832008654734E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.423210576463372E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  7.906523177142024E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  1.943117689164516E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  8.429142943519873E-005
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.573476573771082E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  7.250711035448624E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  4.494613382503830E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  2.180598136267455E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  9.860553352080347E-005
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  8.887784994850343E-005
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.340322482172255E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  4.337899002163684E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.099637288264184E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.168145126264783E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  1.965387463289807E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  6.551771163981700E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.345839587880546E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  9.229735450017527E-005
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  5.202693618324358E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  7.265954006118869E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.663097908235389E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  4.985240302809296E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  2.554242387225983E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  4.501178890808589E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.857117191429746E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  6.885148817413245E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  2.504365920868122E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  5.375763156562447E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  2.493761564005881E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  3.835878250943848E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  1.599271868256244E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  2.147639562707337E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  2.037918999852330E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.322556691711327E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.396442031990552E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  8.847699411756367E-005
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  1.881608965520340E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  8.429125697277038E-005
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.573476591000877E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  7.250650401180137E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  4.494617615936869E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  2.180597898478184E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  9.860566058505315E-005
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  8.887784836146618E-005
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.340320754378297E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  4.337882411003866E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.099638506671145E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.168145575623468E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  1.965373310358014E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  6.551771086650718E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.345851439338414E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  9.229735626139246E-005
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  5.202693261976089E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  7.265977035430880E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.663113824482106E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  4.985240062058653E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  2.554245704110707E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  4.501178950167247E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.857130955188852E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  6.885148969786584E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  2.504356277944236E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  5.375744432401045E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  2.493761230750923E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  3.835888384829442E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  1.599264807911982E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  2.147639418907043E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  2.037931519126150E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.322556839742800E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.396431914506927E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  8.847699796845588E-005
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  1.881603613844422E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.961845905470767E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.626409088257346E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.758217768456678E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  6.424507911812211E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  1.969739068358938E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  1.362155408365913E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  7.708532428989070E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.342851513527400E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  9.559926747836748E-005
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  7.177521478801596E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  5.403430752049115E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  6.612246030581780E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.101386837377980E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.320732464474391E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  3.472854374275638E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.480219699478856E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  3.096550579991409E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  2.791887754339529E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  4.599495928171085E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  3.187304827042325E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  4.520014474383951E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.857999883858692E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  9.719857469877560E-005
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  5.130991826722581E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  5.396786431438878E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  2.388694808072924E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  5.876618209099719E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.319628706284520E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.780991878333362E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.256105446796254E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  3.027832227462723E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.423220137136887E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  7.906523724172743E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  1.943104630385332E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.366087130182567E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.852994152614840E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.721776953313156E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.252065732910245E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  9.398435268563706E-005
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  1.709077669975179E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  2.425070886121034E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  3.469486802924408E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.339838242053884E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  6.850393417110631E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  8.947863657978346E-005
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  3.615590201067322E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  7.467197350505687E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  1.012330946345244E-004
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.378111430883648E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  7.218301260092113E-005
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  3.782966496101342E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  9.525566774186950E-005
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  5.283814441962104E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.051991853463405E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  5.555705353302497E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.369052101597736E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.948278754666394E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  3.783026903614373E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.433594777067677E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  5.355055263643412E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  1.571916919467600E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  9.650177946333962E-005
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.537283898565654E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.393367421372337E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  2.900097571467077E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  8.345933561667071E-006
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.401734282563058E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.231314811774556E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  2.805460271695859E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.366087619563711E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.852998839970592E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.721776861186379E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.252058510310392E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  9.398444741076489E-005
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  1.709076903123168E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  2.425072029632175E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  3.469485882476307E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.339839665096750E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  6.850408841447188E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  8.947873910744300E-005
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  3.615590429696641E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  7.467168788892508E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  1.012331006085211E-004
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.378100154764219E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  7.218300966326853E-005
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  3.782966411114325E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  9.525585679407538E-005
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  5.283824447222804E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.051991857950615E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  5.555712543559474E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.369052037808366E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.948265193600660E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  3.783027136477587E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.433613275060259E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  5.355072536592425E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  1.571916896553026E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  9.650188065790811E-005
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.537275593756114E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.393367504899977E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  2.900106494800444E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  8.345933518456075E-006
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.401743998250044E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.231314912859983E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  2.805469256679072E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  8.921654745619125E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  3.093658779063431E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.093896791357262E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  1.057485843709178E-004
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  9.452011279162724E-005
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.110989391488694E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.114486628095052E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.277362022450976E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  1.099454352048489E-004
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.145548215727288E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.208234976860742E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.558776616745261E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.705858861997109E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.474980915588290E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.158353238448153E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.838406809699722E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.228792321507638E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  2.295528179034014E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.586195730721857E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  9.117592133691250E-005
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.102682026489982E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.103256996315135E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  4.196788221527924E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  4.035567691853249E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  2.664804331834446E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  2.704078066634494E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  7.514517460838045E-005
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  8.603799032629023E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.564355187023146E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  5.369276894918072E-006
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.574327297775896E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.266035211537512E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  9.221910402861911E-005
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.403894160499449E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  7.189435750471522E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.124957170726021E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  8.899716206971749E-006
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.403140328093927E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  9.010756842718738E-005
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  9.377321581037869E-005
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.693233558381177E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  5.186005951879774E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  9.442519208930465E-005
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  9.444942731326559E-005
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  5.369793636984336E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  9.884893930392224E-005
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  5.581882308142196E-005
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.850598942824730E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  5.830927552250396E-006
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  9.748505443965062E-005
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  8.826585238583470E-005
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.572918059537589E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  5.650687310364624E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.596196688105731E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  3.753332050538135E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.145246318271716E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  6.360135293360354E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  9.125262573955430E-005
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.353771033701617E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  5.386223839529302E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  4.148707213894115E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  9.628317426284257E-005
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.357412307285530E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.389259573705858E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  3.763892769487843E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  1.928188260486825E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  4.924188182469907E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  2.380106643250590E-006
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.147708357254615E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  6.464011978862754E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  4.657559829911900E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  8.265416372858138E-005
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  3.717378156441016E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  2.973230146550624E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  6.113708220344814E-006
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  4.154696497307285E-006
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  9.010713698088110E-005
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  9.377323359935679E-005
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.693222222831233E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  5.186006689372226E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  9.442519286291099E-005
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  9.444944039585703E-005
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  5.369792005149445E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  9.884893015437576E-005
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  5.581883739905767E-005
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.850644565208458E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  5.831117955208144E-006
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  9.748507502139112E-005
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  8.826585489547971E-005
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.572913585608343E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  5.650687608997736E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.597213064900549E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  3.753331175929145E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.145246602223057E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  6.360133332472483E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  9.125262872645064E-005
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.353773312853139E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  5.386223441252558E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  4.148706890617306E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  9.628317305417647E-005
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.357412283559628E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.389100323241151E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  3.763893702296782E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  1.928187319550773E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  4.924219886064956E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  2.380108800839554E-006
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.147682034839122E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  6.463987806683737E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  4.657559681251207E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  8.265424245900628E-005
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  3.717378199717607E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  2.960482334916983E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  6.113708673279848E-006
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  4.154560190699362E-006
25.03.2020 20:38:39:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:39:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:38:40:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:38:40:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.32926258 p = -3227.33862999
                                d =  -843.04891868 f =   -22.84755309
       valence  contribution :  s =    -0.07225684 p =    -0.02215538
                                d =    -0.20952749 f =    -0.00238821
                                ns      0.00248541
     single particle energies  spin  up    
         core   contribution :  s = -6844.94739217 p = -3228.83135178
                                d =  -844.27361560 f =   -23.71341232
       valence  contribution :  s =    -0.09636722 p =    -0.02833881
                                d =    -0.63029107 f =    -0.00302627
                                ns      0.00465298
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21880.38734910
                                   band energy per atom :   -1.0572129026

     coulomb  contribution :   0  13787.39803326  1      0.01112295
                               2      0.00064648  3     -0.00170995
                               4      0.00319831  5      0.00018095
                               6     -0.00002185
     --------------------------------------------------------------------
     tot. coulomb contribution :  13787.41145015

     ex.-cor. contribution :   0   -674.04515289  1      0.00869436
                               2      0.00169178  3     -0.00856784
                               4     -0.00851117  5      0.00227961
                               6      0.00005207
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.04951408

     eff. pot. contribution     : -26873.63588055
     total double counting contribution                 : -13760.27394447

   Total contribution of atom  1 =-35640.66129357
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07919891 p =    -0.09164464
                                d =    -0.04046981 f =    -0.01227059
                                ns      0.03714724
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09768754 p =    -0.11314161
                                d =    -0.05295563 f =    -0.01805864
                                ns      0.04899883
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41928131
                                   band energy per atom :   -0.4192813071

     coulomb  contribution :   0     -0.11485795  1      0.00081155
                               2      0.00284383  3      0.00144199
                               4     -0.00045969  5      0.00027067
                               6      0.00001977
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10992983

     ex.-cor. contribution :   0     -0.69260399  1     -0.00060954
                               2      0.05194979  3      0.00953817
                               4      0.01874212  5      0.00382044
                               6      0.00047239
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60869062

     eff. pot. contribution     :     -0.46023071
     total double counting contribution                 :     -1.17885116

   Total contribution of atom  2 =    -1.59813247
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07912356 p =    -0.09154653
                                d =    -0.04043519 f =    -0.01225799
                                ns      0.03707072
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09759389 p =    -0.11300285
                                d =    -0.05289626 f =    -0.01803634
                                ns      0.04888648
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41893542
                                   band energy per atom :   -0.4189354249

     coulomb  contribution :   0     -0.11509221  1      0.00082012
                               2      0.00285298  3      0.00143691
                               4     -0.00045120  5      0.00027232
                               6      0.00001979
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11014129

     ex.-cor. contribution :   0     -0.69196596  1     -0.00062315
                               2      0.05189551  3      0.00952264
                               4      0.01868451  5      0.00381358
                               6      0.00047021
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60820266

     eff. pot. contribution     :     -0.45987482
     total double counting contribution                 :     -1.17821877

   Total contribution of atom  3 =    -1.59715420
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07912356 p =    -0.09154654
                                d =    -0.04043519 f =    -0.01225799
                                ns      0.03707072
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09759389 p =    -0.11300285
                                d =    -0.05289626 f =    -0.01803634
                                ns      0.04888648
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41893543
                                   band energy per atom :   -0.4189354291

     coulomb  contribution :   0     -0.11509221  1      0.00082012
                               2      0.00285298  3      0.00143691
                               4     -0.00045120  5      0.00027232
                               6      0.00001979
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.11014129

     ex.-cor. contribution :   0     -0.69196596  1     -0.00062315
                               2      0.05189552  3      0.00952267
                               4      0.01868448  5      0.00381358
                               6      0.00047021
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60820265

     eff. pot. contribution     :     -0.45987481
     total double counting contribution                 :     -1.17821876

   Total contribution of atom  4 =    -1.59715419
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04976251 p =    -0.06033942
                                d =    -0.02766863 f =    -0.00869917
                                ns      0.00828187
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06152925 p =    -0.07280378
                                d =    -0.03415686 f =    -0.01135710
                                ns      0.01006858
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30796626
                                   band energy per atom :   -0.3079662640

     coulomb  contribution :   0     -0.07606737  1     -0.00042961
                               2     -0.00033682  3     -0.00002644
                               4     -0.00042039  5      0.00004440
                               6      0.00016068
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07707555

     ex.-cor. contribution :   0     -0.42950606  1     -0.00015570
                               2     -0.00033902  3     -0.00004193
                               4      0.01752289  5      0.00001441
                               6      0.00114926
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41135614

     eff. pot. contribution     :     -0.44311916
     total double counting contribution                 :     -0.93155085

   Total contribution of atom  5 =    -1.23951711
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04975686 p =    -0.06035245
                                d =    -0.02767673 f =    -0.00869815
                                ns      0.00828258
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06151403 p =    -0.07281199
                                d =    -0.03416606 f =    -0.01135683
                                ns      0.01006894
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30798158
                                   band energy per atom :   -0.3079815795

     coulomb  contribution :   0     -0.07596429  1     -0.00042721
                               2     -0.00033690  3     -0.00002571
                               4     -0.00042393  5      0.00004434
                               6      0.00015998
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07697372

     ex.-cor. contribution :   0     -0.42943430  1     -0.00015719
                               2     -0.00033355  3     -0.00004234
                               4      0.01752397  5      0.00001467
                               6      0.00114513
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41128363

     eff. pot. contribution     :     -0.44308519
     total double counting contribution                 :     -0.93134253

   Total contribution of atom  6 =    -1.23932411
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.04975686 p =    -0.06035245
                                d =    -0.02767673 f =    -0.00869815
                                ns      0.00828258
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06151403 p =    -0.07281199
                                d =    -0.03416606 f =    -0.01135683
                                ns      0.01006894
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30798158
                                   band energy per atom :   -0.3079815818

     coulomb  contribution :   0     -0.07596429  1     -0.00042721
                               2     -0.00033690  3     -0.00002571
                               4     -0.00042393  5      0.00004434
                               6      0.00015998
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07697372

     ex.-cor. contribution :   0     -0.42943430  1     -0.00015719
                               2     -0.00033355  3     -0.00004234
                               4      0.01752391  5      0.00001467
                               6      0.00114513
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41128368

     eff. pot. contribution     :     -0.44308519
     total double counting contribution                 :     -0.93134259

   Total contribution of atom  7 =    -1.23932417
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07323747 p =    -0.08563945
                                d =    -0.03543473 f =    -0.00935097
                                ns      0.01749264
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08982748 p =    -0.10518843
                                d =    -0.04593720 f =    -0.01323680
                                ns      0.02205162
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41830825
                                   band energy per atom :   -0.4183082544

     coulomb  contribution :   0     -0.10801348  1     -0.00072154
                               2     -0.00162699  3      0.00190191
                               4     -0.00032225  5      0.00014759
                               6      0.00015350
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10848126

     ex.-cor. contribution :   0     -0.62460013  1      0.00244808
                               2      0.00374736  3      0.00049141
                               4      0.03031576  5      0.00096410
                               6      0.00053795
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58609546

     eff. pot. contribution     :     -0.44544416
     total double counting contribution                 :     -1.14002088

   Total contribution of atom  8 =    -1.55832913
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.59060985 p = -1089.83294934
                                d =  -190.82422342
       valence  contribution :  s =    -0.46969825 p =    -0.17627808
                                d =    -0.01501049 f =    -0.00444606
                                ns     -0.00286086
     single particle energies  spin  up    
         core   contribution :  s = -2636.07605908 p = -1090.92590604
                                d =  -192.03856064
       valence  contribution :  s =    -0.55737011 p =    -0.23861054
                                d =    -0.01997667 f =    -0.00586532
                                ns     -0.00330916
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.78173389
                                   band energy per atom :   -1.4934255279

     coulomb  contribution :   0   5105.50084128  1     -0.00017055
                               2      0.00043295  3      0.00118799
                               4     -0.00729546  5     -0.00000325
                               6      0.00007704
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.49506998

     ex.-cor. contribution :   0   -329.26454809  1     -0.00004542
                               2     -0.00035310  3      0.00350145
                               4     -0.01875492  5      0.00000422
                               6      0.00034750
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.27984836

     eff. pot. contribution     :  -9893.66386948
     total double counting contribution                 :  -5117.44864785

   Total contribution of atom  9 =-12954.23038174
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.59085829 p = -1089.83349932
                                d =  -190.82481402
       valence  contribution :  s =    -0.46965728 p =    -0.17621846
                                d =    -0.01501368 f =    -0.00444888
                                ns     -0.00286330
     single particle energies  spin  up    
         core   contribution :  s = -2636.07630714 p = -1090.92645520
                                d =  -192.03914978
       valence  contribution :  s =    -0.55733428 p =    -0.23853102
                                d =    -0.01997975 f =    -0.00586877
                                ns     -0.00331319
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.78431237
                                   band energy per atom :   -1.4932286117

     coulomb  contribution :   0   5105.48754135  1     -0.00016705
                               2      0.00043104  3      0.00118999
                               4     -0.00730557  5     -0.00000274
                               6      0.00007720
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.48176422

     ex.-cor. contribution :   0   -329.26415470  1     -0.00004614
                               2     -0.00035579  3      0.00350362
                               4     -0.01878139  5      0.00000496
                               6      0.00034793
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.27948152

     eff. pot. contribution     :  -9893.64747740
     total double counting contribution                 :  -5117.44519471

   Total contribution of atom 10 =-12954.22950708
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.59085827 p = -1089.83349932
                                d =  -190.82481402
       valence  contribution :  s =    -0.46965728 p =    -0.17621846
                                d =    -0.01501368 f =    -0.00444888
                                ns     -0.00286330
     single particle energies  spin  up    
         core   contribution :  s = -2636.07630719 p = -1090.92645520
                                d =  -192.03914979
       valence  contribution :  s =    -0.55733428 p =    -0.23853102
                                d =    -0.01997975 f =    -0.00586877
                                ns     -0.00331319
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.78431241
                                   band energy per atom :   -1.4932286144

     coulomb  contribution :   0   5105.48754156  1     -0.00016705
                               2      0.00043104  3      0.00118999
                               4     -0.00730557  5     -0.00000274
                               6      0.00007720
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.48176443

     ex.-cor. contribution :   0   -329.26415473  1     -0.00004614
                               2     -0.00035576  3      0.00350114
                               4     -0.01877859  5      0.00000496
                               6      0.00034793
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.27948120

     eff. pot. contribution     :  -9893.64747759
     total double counting contribution                 :  -5117.44519436

   Total contribution of atom 11 =-12954.22950677
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08971487 p =    -0.11035053
                                d =    -0.05087723 f =    -0.01527684
                                ns      0.05229326
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10653878 p =    -0.12851379
                                d =    -0.06028460 f =    -0.01906405
                                ns      0.06268388
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46564357
                                   band energy per atom :   -0.4656435710

     coulomb  contribution :   0     -0.15959076  1     -0.00097136
                               2     -0.00045877  3      0.00160079
                               4      0.00150466  5      0.00049490
                               6      0.00002941
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15739114

     ex.-cor. contribution :   0     -0.67914990  1     -0.00109107
                               2      0.05169367  3      0.00922810
                               4      0.01965888  5      0.00412484
                               6      0.00026645
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.59526904

     eff. pot. contribution     :     -0.39542774
     total double counting contribution                 :     -1.14808791

   Total contribution of atom 12 =    -1.61373149
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78584977 p = -1151.27385572
                                d =  -209.75417190
       valence  contribution :  s =    -0.61965063 p =    -0.23910805
                                d =    -0.01392235 f =    -0.00365386
                                ns      0.00127001
     single particle energies  spin  up    
         core   contribution :  s = -2756.27236560 p = -1152.36967770
                                d =  -210.97328864
       valence  contribution :  s =    -0.70925526 p =    -0.33624889
                                d =    -0.01494488 f =    -0.00374509
                                ns      0.00116835
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.36730000
                                   band energy per atom :   -1.9380906613

     coulomb  contribution :   0   5306.35003304  1      0.00088314
                               2     -0.00083494  3     -0.00372475
                               4     -0.00488448  5      0.00050263
                               6     -0.00000187
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.34197277

     ex.-cor. contribution :   0   -339.86455716  1      0.01203365
                               2     -0.00322804  3     -0.01482416
                               4     -0.01428611  5      0.00224522
                               6     -0.00000445
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88262106

     eff. pot. contribution     : -10308.55085153
     total double counting contribution                 :  -5342.09149982

   Total contribution of atom 13 =-13580.45879982
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78600619 p = -1151.27421011
                                d =  -209.75456950
       valence  contribution :  s =    -0.61965901 p =    -0.23915435
                                d =    -0.01392023 f =    -0.00365364
                                ns      0.00126789
     single particle energies  spin  up    
         core   contribution :  s = -2756.27252183 p = -1152.37003172
                                d =  -210.97368558
       valence  contribution :  s =    -0.70926307 p =    -0.33630228
                                d =    -0.01494268 f =    -0.00374466
                                ns      0.00116589
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.36923107
                                   band energy per atom :   -1.9382061329

     coulomb  contribution :   0   5306.35541141  1      0.00089118
                               2     -0.00083800  3     -0.00372362
                               4     -0.00488631  5      0.00050310
                               6     -0.00000186
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.34735590

     ex.-cor. contribution :   0   -339.86469487  1      0.01203219
                               2     -0.00323526  3     -0.01479088
                               4     -0.01428034  5      0.00224595
                               6     -0.00000432
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88272754

     eff. pot. contribution     : -10308.55413665
     total double counting contribution                 :  -5342.08950828

   Total contribution of atom 14 =-13580.45873935
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78600616 p = -1151.27421011
                                d =  -209.75456949
       valence  contribution :  s =    -0.61965901 p =    -0.23915435
                                d =    -0.01392023 f =    -0.00365364
                                ns      0.00126789
     single particle energies  spin  up    
         core   contribution :  s = -2756.27252188 p = -1152.37003171
                                d =  -210.97368558
       valence  contribution :  s =    -0.70926307 p =    -0.33630228
                                d =    -0.01494268 f =    -0.00374466
                                ns      0.00116589
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.36923107
                                   band energy per atom :   -1.9382061328

     coulomb  contribution :   0   5306.35541149  1      0.00089118
                               2     -0.00083800  3     -0.00372362
                               4     -0.00488631  5      0.00050310
                               6     -0.00000186
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.34735598

     ex.-cor. contribution :   0   -339.86469492  1      0.01203219
                               2     -0.00323528  3     -0.01479899
                               4     -0.01427394  5      0.00224595
                               6     -0.00000432
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88272930

     eff. pot. contribution     : -10308.55413673
     total double counting contribution                 :  -5342.08951005

   Total contribution of atom 15 =-13580.45874112
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77979926 p = -1151.26207727
                                d =  -209.74484803
       valence  contribution :  s =    -0.62173339 p =    -0.24121996
                                d =    -0.01374090 f =    -0.00357072
                                ns     -0.00003173
     single particle energies  spin  up    
         core   contribution :  s = -2756.26611091 p = -1152.35734504
                                d =  -210.96292095
       valence  contribution :  s =    -0.71043899 p =    -0.33768052
                                d =    -0.01506167 f =    -0.00383978
                                ns      0.00014300
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32027611
                                   band energy per atom :   -1.9471746517

     coulomb  contribution :   0   5307.37155659  1      0.00109072
                               2     -0.00100377  3     -0.00367398
                               4     -0.00468803  5      0.00043459
                               6     -0.00001276
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.36370336

     ex.-cor. contribution :   0   -339.89243208  1      0.01199649
                               2     -0.00394615  3     -0.01368082
                               4     -0.01402404  5      0.00204487
                               6     -0.00003546
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91007720

     eff. pot. contribution     : -10309.63066149
     total double counting contribution                 :  -5342.17703533

   Total contribution of atom 16 =-13580.49731144
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77965184 p = -1151.26173801
                                d =  -209.74445773
       valence  contribution :  s =    -0.62167270 p =    -0.24120699
                                d =    -0.01374078 f =    -0.00357047
                                ns     -0.00003626
     single particle energies  spin  up    
         core   contribution :  s = -2756.26596304 p = -1152.35700458
                                d =  -210.96252846
       valence  contribution :  s =    -0.71036986 p =    -0.33765116
                                d =    -0.01506242 f =    -0.00383979
                                ns      0.00013673
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.31835735
                                   band energy per atom :   -1.9470137032

     coulomb  contribution :   0   5307.35787268  1      0.00108196
                               2     -0.00100502  3     -0.00367731
                               4     -0.00468921  5      0.00043426
                               6     -0.00001270
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.35000466

     ex.-cor. contribution :   0   -339.89212196  1      0.01199476
                               2     -0.00393951  3     -0.01369113
                               4     -0.01402652  5      0.00204546
                               6     -0.00003536
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90977427

     eff. pot. contribution     : -10309.61915930
     total double counting contribution                 :  -5342.17892891

   Total contribution of atom 17 =-13580.49728626
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77965181 p = -1151.26173801
                                d =  -209.74445773
       valence  contribution :  s =    -0.62167270 p =    -0.24120699
                                d =    -0.01374078 f =    -0.00357047
                                ns     -0.00003626
     single particle energies  spin  up    
         core   contribution :  s = -2756.26596307 p = -1152.35700458
                                d =  -210.96252846
       valence  contribution :  s =    -0.71036986 p =    -0.33765116
                                d =    -0.01506242 f =    -0.00383979
                                ns      0.00013673
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.31835736
                                   band energy per atom :   -1.9470137043

     coulomb  contribution :   0   5307.35787277  1      0.00108196
                               2     -0.00100502  3     -0.00367731
                               4     -0.00468921  5      0.00043426
                               6     -0.00001270
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.35000475

     ex.-cor. contribution :   0   -339.89212197  1      0.01199476
                               2     -0.00393949  3     -0.01369065
                               4     -0.01402839  5      0.00204546
                               6     -0.00003536
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.90977565

     eff. pot. contribution     : -10309.61915939
     total double counting contribution                 :  -5342.17893029

   Total contribution of atom 18 =-13580.49728765
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77979928 p = -1151.26207726
                                d =  -209.74484803
       valence  contribution :  s =    -0.62173339 p =    -0.24121996
                                d =    -0.01374090 f =    -0.00357072
                                ns     -0.00003173
     single particle energies  spin  up    
         core   contribution :  s = -2756.26611090 p = -1152.35734503
                                d =  -210.96292094
       valence  contribution :  s =    -0.71043899 p =    -0.33768052
                                d =    -0.01506167 f =    -0.00383978
                                ns      0.00014300
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32027610
                                   band energy per atom :   -1.9471746514

     coulomb  contribution :   0   5307.37155671  1      0.00109072
                               2     -0.00100377  3     -0.00367398
                               4     -0.00468803  5      0.00043459
                               6     -0.00001276
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.36370347

     ex.-cor. contribution :   0   -339.89243210  1      0.01199649
                               2     -0.00394614  3     -0.01367983
                               4     -0.01402315  5      0.00204487
                               6     -0.00003546
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91007533

     eff. pot. contribution     : -10309.63066164
     total double counting contribution                 :  -5342.17703349

   Total contribution of atom 19 =-13580.49730959
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77975713 p = -1151.26198167
                                d =  -209.74474086
       valence  contribution :  s =    -0.62171065 p =    -0.24129374
                                d =    -0.01373916 f =    -0.00356959
                                ns     -0.00003037
     single particle energies  spin  up    
         core   contribution :  s = -2756.26606885 p = -1152.35724965
                                d =  -210.96281420
       valence  contribution :  s =    -0.71040920 p =    -0.33774865
                                d =    -0.01506045 f =    -0.00383856
                                ns      0.00014241
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.31987034
                                   band energy per atom :   -1.9472579618

     coulomb  contribution :   0   5307.36954630  1      0.00107394
                               2     -0.00099615  3     -0.00367335
                               4     -0.00469079  5      0.00043430
                               6     -0.00001262
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.36168162

     ex.-cor. contribution :   0   -339.89246195  1      0.01199015
                               2     -0.00392584  3     -0.01367028
                               4     -0.01404457  5      0.00204567
                               6     -0.00003531
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91010211

     eff. pot. contribution     : -10309.62924774
     total double counting contribution                 :  -5342.17766823

   Total contribution of atom 20 =-13580.49753857
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.77975710 p = -1151.26198168
                                d =  -209.74474086
       valence  contribution :  s =    -0.62171065 p =    -0.24129374
                                d =    -0.01373916 f =    -0.00356959
                                ns     -0.00003037
     single particle energies  spin  up    
         core   contribution :  s = -2756.26606887 p = -1152.35724966
                                d =  -210.96281421
       valence  contribution :  s =    -0.71040920 p =    -0.33774865
                                d =    -0.01506045 f =    -0.00383856
                                ns      0.00014241
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.31987034
                                   band energy per atom :   -1.9472579633

     coulomb  contribution :   0   5307.36954625  1      0.00107394
                               2     -0.00099615  3     -0.00367335
                               4     -0.00469079  5      0.00043430
                               6     -0.00001262
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.36168156

     ex.-cor. contribution :   0   -339.89246194  1      0.01199015
                               2     -0.00392586  3     -0.01366954
                               4     -0.01404296  5      0.00204567
                               6     -0.00003531
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91009977

     eff. pot. contribution     : -10309.62924764
     total double counting contribution                 :  -5342.17766585

   Total contribution of atom 21 =-13580.49753620
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73596316 p = -1151.16001865
                                d =  -209.61985753
       valence  contribution :  s =    -0.60477152 p =    -0.22196304
                                d =    -0.01201108 f =    -0.00323254
                                ns     -0.00939028
     single particle energies  spin  up    
         core   contribution :  s = -2756.22232007 p = -1152.25544213
                                d =  -210.83920574
       valence  contribution :  s =    -0.69692512 p =    -0.32237147
                                d =    -0.01332828 f =    -0.00352287
                                ns     -0.00996949
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.73029297
                                   band energy per atom :   -1.8974856957

     coulomb  contribution :   0   5319.25639975  1      0.00001529
                               2     -0.00269722  3     -0.00000175
                               4     -0.00580412  5      0.00000075
                               6      0.00000203
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.24791473

     ex.-cor. contribution :   0   -339.91751323  1     -0.00001860
                               2     -0.00982941  3     -0.00052551
                               4     -0.04274573  5     -0.00000021
                               6      0.00016276
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.97046993

     eff. pot. contribution     : -10322.19901845
     total double counting contribution                 :  -5342.92157366

   Total contribution of atom 22 =-13580.65186663
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73589263 p = -1151.15986061
                                d =  -209.61968369
       valence  contribution :  s =    -0.60475794 p =    -0.22194977
                                d =    -0.01201052 f =    -0.00323202
                                ns     -0.00939128
     single particle energies  spin  up    
         core   contribution :  s = -2756.22224943 p = -1152.25528350
                                d =  -210.83903081
       valence  contribution :  s =    -0.69691080 p =    -0.32234838
                                d =    -0.01332874 f =    -0.00352279
                                ns     -0.00996982
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72942273
                                   band energy per atom :   -1.8974220613

     coulomb  contribution :   0   5319.25377277  1      0.00001525
                               2     -0.00269604  3     -0.00000175
                               4     -0.00580370  5      0.00000074
                               6      0.00000201
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.24528928

     ex.-cor. contribution :   0   -339.91745190  1     -0.00001862
                               2     -0.00983058  3     -0.00054884
                               4     -0.04267313  5     -0.00000021
                               6      0.00016283
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.97036044

     eff. pot. contribution     : -10322.19733689
     total double counting contribution                 :  -5342.92240805

   Total contribution of atom 23 =-13580.65183078
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.73589266 p = -1151.15986062
                                d =  -209.61968369
       valence  contribution :  s =    -0.60475794 p =    -0.22194977
                                d =    -0.01201052 f =    -0.00323202
                                ns     -0.00939128
     single particle energies  spin  up    
         core   contribution :  s = -2756.22224937 p = -1152.25528350
                                d =  -210.83903081
       valence  contribution :  s =    -0.69691080 p =    -0.32234838
                                d =    -0.01332874 f =    -0.00352279
                                ns     -0.00996982
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72942271
                                   band energy per atom :   -1.8974220623

     coulomb  contribution :   0   5319.25377277  1      0.00001525
                               2     -0.00269604  3     -0.00000175
                               4     -0.00580370  5      0.00000074
                               6      0.00000201
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.24528929

     ex.-cor. contribution :   0   -339.91745185  1     -0.00001862
                               2     -0.00983047  3     -0.00055070
                               4     -0.04266995  5     -0.00000021
                               6      0.00016283
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.97035896

     eff. pot. contribution     : -10322.19733689
     total double counting contribution                 :  -5342.92240656

   Total contribution of atom 24 =-13580.65182927
                                   sum of band energies :  -31.7918544504
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.34943272
                                eV  : -3231123.74411166
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:38:40:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
  Iteration Number           19
25.03.2020 20:38:40:  >>>>>>>>>>>>>>>>>>>>>  energyloop >>>>>>>>>>>>>>>>>>>>> 
 Distributed new angles from my_rank 0 to others
 Atom            1
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            2
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            3
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            4
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            5
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            6
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            7
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            8
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom            9
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           10
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           11
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           12
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           13
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           14
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           15
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           16
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           17
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           18
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           19
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           20
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           21
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           22
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           23
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 Atom           24
 new theta  0.000000000000000E+000
 new phi  0.000000000000000E+000
 ###################################
 ###  mpi_energy distribution    ###
 ###################################
 number of threads       :          48
 number of energy points :          60
 Distribution to threads:
 Thread   0 IE=   1..   2 Total:    2
 Thread   1 IE=   3..   4 Total:    2
 Thread   2 IE=   5..   6 Total:    2
 Thread   3 IE=   7..   8 Total:    2
 Thread   4 IE=   9..  10 Total:    2
 Thread   5 IE=  11..  12 Total:    2
 Thread   6 IE=  13..  14 Total:    2
 Thread   7 IE=  15..  16 Total:    2
 Thread   8 IE=  17..  18 Total:    2
 Thread   9 IE=  19..  20 Total:    2
 Thread  10 IE=  21..  22 Total:    2
 Thread  11 IE=  23..  24 Total:    2
 Thread  12 IE=  25..  25 Total:    1
 Thread  13 IE=  26..  26 Total:    1
 Thread  14 IE=  27..  27 Total:    1
 Thread  15 IE=  28..  28 Total:    1
 Thread  16 IE=  29..  29 Total:    1
 Thread  17 IE=  30..  30 Total:    1
 Thread  18 IE=  31..  31 Total:    1
 Thread  19 IE=  32..  32 Total:    1
 Thread  20 IE=  33..  33 Total:    1
 Thread  21 IE=  34..  34 Total:    1
 Thread  22 IE=  35..  35 Total:    1
 Thread  23 IE=  36..  36 Total:    1
 Thread  24 IE=  37..  37 Total:    1
 Thread  25 IE=  38..  38 Total:    1
 Thread  26 IE=  39..  39 Total:    1
 Thread  27 IE=  40..  40 Total:    1
 Thread  28 IE=  41..  41 Total:    1
 Thread  29 IE=  42..  42 Total:    1
 Thread  30 IE=  43..  43 Total:    1
 Thread  31 IE=  44..  44 Total:    1
 Thread  32 IE=  45..  45 Total:    1
 Thread  33 IE=  46..  46 Total:    1
 Thread  34 IE=  47..  47 Total:    1
 Thread  35 IE=  48..  48 Total:    1
 Thread  36 IE=  49..  49 Total:    1
 Thread  37 IE=  50..  50 Total:    1
 Thread  38 IE=  51..  51 Total:    1
 Thread  39 IE=  52..  52 Total:    1
 Thread  40 IE=  53..  53 Total:    1
 Thread  41 IE=  54..  54 Total:    1
 Thread  42 IE=  55..  55 Total:    1
 Thread  43 IE=  56..  56 Total:    1
 Thread  44 IE=  57..  57 Total:    1
 Thread  45 IE=  58..  58 Total:    1
 Thread  46 IE=  59..  59 Total:    1
 Thread  47 IE=  60..  60 Total:    1
 [energyloop] Energy ie=           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 exiting interpolecell
 exiting interpolecell
 exiting interpolecell
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
 [energyloop] Energy ie=           2
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           1           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           2           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           3           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           4           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           5           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           6           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           7           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           8           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom           9           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          10           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          11           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          12           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          13           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          14           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          15           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          16           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          17           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          18           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          19           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          20           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          21           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          22           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          23           1
 call CALCTMAT
 starting calctmatnew
 spinorbit indexatom          24           1
 call gdyson
 end call gdyson
 entering rhovalnew iatom           1
 exited rhovalnew iatom           1
 entering rhovalnew iatom           2
 exited rhovalnew iatom           2
 entering rhovalnew iatom           3
 exited rhovalnew iatom           3
 entering rhovalnew iatom           4
 exited rhovalnew iatom           4
 entering rhovalnew iatom           5
 exited rhovalnew iatom           5
 entering rhovalnew iatom           6
 exited rhovalnew iatom           6
 entering rhovalnew iatom           7
 exited rhovalnew iatom           7
 entering rhovalnew iatom           8
 exited rhovalnew iatom           8
 entering rhovalnew iatom           9
 exited rhovalnew iatom           9
 entering rhovalnew iatom          10
 exited rhovalnew iatom          10
 entering rhovalnew iatom          11
 exited rhovalnew iatom          11
 entering rhovalnew iatom          12
 exited rhovalnew iatom          12
 entering rhovalnew iatom          13
 exited rhovalnew iatom          13
 entering rhovalnew iatom          14
 exited rhovalnew iatom          14
 entering rhovalnew iatom          15
 exited rhovalnew iatom          15
 entering rhovalnew iatom          16
 exited rhovalnew iatom          16
 entering rhovalnew iatom          17
 exited rhovalnew iatom          17
 entering rhovalnew iatom          18
 exited rhovalnew iatom          18
 entering rhovalnew iatom          19
 exited rhovalnew iatom          19
 entering rhovalnew iatom          20
 exited rhovalnew iatom          20
 Single site wavefunctions not allocated for atom          21
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          21           1
 entering rhovalnew iatom          21
 exited rhovalnew iatom          21
 Single site wavefunctions not allocated for atom          22
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          22           1
 entering rhovalnew iatom          22
 exited rhovalnew iatom          22
 Single site wavefunctions not allocated for atom          23
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          23           1
 entering rhovalnew iatom          23
 exited rhovalnew iatom          23
 Single site wavefunctions not allocated for atom          24
 Recalculating wave functions ...
 starting calctmatnew
 spinorbit indexatom          24           1
 entering rhovalnew iatom          24
 exited rhovalnew iatom          24
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>> MPI comm >>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<< MPI comm <<<<<<<<<<<<<<<<<<<
 magnetic moment is   5.502077287362710E-010 -8.537065842262880E-006
  0.849189421369257     
 magnetic moment2 is   5.502056104932172E-010 -8.537065840897101E-006
 -6.229772041848691E-002
 magnetic moment is   5.017110858707152E-012 -4.005736628225695E-003
  4.137724581440083E-002
 magnetic moment2 is   5.017110858707152E-012 -4.005736628225695E-003
 -1.283795195613449E-002
 magnetic moment is  -3.465445179279383E-003  2.005077295130253E-003
  4.136331897117240E-002
 magnetic moment2 is  -3.465445179279383E-003  2.005077295130253E-003
 -1.287167226854677E-002
 magnetic moment is   3.465445276267679E-003  2.005077174778733E-003
  4.136331836693508E-002
 magnetic moment2 is   3.465445276267679E-003  2.005077174778733E-003
 -1.287167316056845E-002
 magnetic moment is  -3.234769602785542E-011  1.032896505323562E-003
  4.254777463689896E-002
 magnetic moment2 is  -3.234769602785542E-011  1.032896505323562E-003
 -1.852067808799104E-002
 magnetic moment is   9.050864284898508E-004 -5.264290860535057E-004
  4.249877964944682E-002
 magnetic moment2 is   9.050864284898508E-004 -5.264290860535057E-004
 -1.855703809587481E-002
 magnetic moment is  -9.050861987934690E-004 -5.264288837352668E-004
  4.249878005852975E-002
 magnetic moment2 is  -9.050861987934690E-004 -5.264288837352668E-004
 -1.855703792989379E-002
 magnetic moment is  -3.102311182622884E-011 -6.152092788698929E-007
  3.977554140291439E-002
 magnetic moment2 is  -3.102311182622884E-011 -6.152092788698929E-007
 -2.102241190265730E-002
 magnetic moment is  -2.927715535283593E-011 -2.222389948442552E-003
  0.128285744863912     
 magnetic moment2 is  -2.929534869897110E-011 -2.227251121308164E-003
 -0.111927163483435     
 magnetic moment is  -1.929825719430843E-003  1.109201777686291E-003
  0.128286704571992     
 magnetic moment2 is  -1.934035970705896E-003  1.111626812410517E-003
 -0.111930460765904     
 magnetic moment is   1.929826538111403E-003  1.109201972874577E-003
  0.128286703344703     
 magnetic moment2 is   1.934036789655958E-003  1.111627007447568E-003
 -0.111930462140570     
 magnetic moment is   2.905250487338916E-012  8.891991732505407E-007
  4.757877038329539E-002
 magnetic moment2 is   2.905250487338916E-012  8.891991732505407E-007
 -1.303253775716884E-002
 magnetic moment is   8.354890390638303E-011  9.398336840202755E-004
  0.245300385898138     
 magnetic moment2 is   8.354817684040616E-011  9.416712440701578E-004
  1.478025308110081E-002
 magnetic moment is   8.153689176405880E-004 -4.719471149545996E-004
  0.245257273312996     
 magnetic moment2 is   8.169688198109691E-004 -4.728741764671071E-004
  1.474357493660011E-002
 magnetic moment is  -8.153687972442722E-004 -4.719470943061469E-004
  0.245257272390999     
 magnetic moment2 is  -8.169686998153484E-004 -4.728741557763497E-004
  1.474357406406075E-002
 magnetic moment is   8.133886279754773E-005  1.373171167686788E-003
  0.219157278588475     
 magnetic moment2 is   8.119785731462281E-005  1.373408826884992E-003
 -8.661551463138628E-003
 magnetic moment is   1.232846962783192E-003 -6.110399222986285E-004
  0.219099042638357     
 magnetic moment2 is   1.232980492062204E-003 -6.112785760520453E-004
 -8.720686954432899E-003
 magnetic moment is  -1.232846848489846E-003 -6.110398968794128E-004
  0.219099042900953     
 magnetic moment2 is  -1.232980377796054E-003 -6.112785506153323E-004
 -8.720686715191689E-003
 magnetic moment is  -8.133844748040855E-005  1.373171240278044E-003
  0.219157276706828     
 magnetic moment2 is  -8.119744203669910E-005  1.373408899478939E-003
 -8.661553144702586E-003
 magnetic moment is   1.145122760200560E-003 -7.566505399773866E-004
  0.219136406936308     
 magnetic moment2 is   1.145396767675504E-003 -7.566468060128239E-004
 -8.683504191035404E-003
 magnetic moment is  -1.145122522684161E-003 -7.566507382187123E-004
  0.219136409175811     
 magnetic moment2 is  -1.145396530172456E-003 -7.566470042547268E-004
 -8.683502177165611E-003
 magnetic moment is  -1.095557836344827E-010 -4.397630574544853E-004
  0.224076623712081     
 magnetic moment2 is  -1.096021038412675E-010 -4.400252675417529E-004
 -1.990558136858661E-002
 magnetic moment is  -3.780217426898279E-004  2.212810542050850E-004
  0.224091188809036     
 magnetic moment2 is  -3.780238065475798E-004  2.212823251411027E-004
 -1.989025181652175E-002
 magnetic moment is   3.780217339814207E-004  2.212811265957719E-004
  0.224091191129272     
 magnetic moment2 is   3.780237978370564E-004  2.212823975321435E-004
 -1.989024970545880E-002
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<<  end energyloop <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>>  WRMOMS >>>>>>>>>>>>>>>>>>>>> 
 
############################################
        l-decomposed valence charges
############################################
 
   ATOM        Ne spin dn  Ne spin up    m_spin 
   ================================================= 
      1   s =  0.34449707  0.37456482    0.0301
          p =  0.09708193  0.11146548    0.0144
          d =  3.23381605  4.03553460    0.8017
          f =  0.00931402  0.00986698    0.0006
          ns  -0.01908372 -0.01661712    0.0025
          ------------------------------------
          TOT  3.66562534  4.51481476    0.8492
                           8.18044010
   ========================== 
      2   s =  0.24314328  0.25854630    0.0154
          p =  0.31184364  0.33017118    0.0183
          d =  0.16341459  0.17644362    0.0130
          f =  0.05906416  0.06811540    0.0091
          ns  -0.11423171 -0.12866529   -0.0144
          ------------------------------------
          TOT  0.66323396  0.70461120    0.0414
                           1.36784516
   ========================== 
      3   s =  0.24303412  0.25846578    0.0154
          p =  0.31156653  0.32989283    0.0183
          d =  0.16326420  0.17624665    0.0130
          f =  0.05901355  0.06803960    0.0090
          ns  -0.11400182 -0.12840496   -0.0144
          ------------------------------------
          TOT  0.66287659  0.70423990    0.0414
                           1.36711649
   ========================== 
      4   s =  0.24303412  0.25846578    0.0154
          p =  0.31156653  0.32989283    0.0183
          d =  0.16326420  0.17624665    0.0130
          f =  0.05901355  0.06803960    0.0090
          ns  -0.11400182 -0.12840496   -0.0144
          ------------------------------------
          TOT  0.66287658  0.70423990    0.0414
                           1.36711649
   ========================== 
      5   s =  0.16176994  0.17800180    0.0162
          p =  0.21248519  0.22787221    0.0154
          d =  0.10917324  0.11835112    0.0092
          f =  0.03699577  0.04171822    0.0047
          ns  -0.02418057 -0.02715202   -0.0030
          ------------------------------------
          TOT  0.49624356  0.53879134    0.0425
                           1.03503490
   ========================== 
      6   s =  0.16169086  0.17790481    0.0162
          p =  0.21246371  0.22782490    0.0154
          d =  0.10920776  0.11837676    0.0092
          f =  0.03700587  0.04172937    0.0047
          ns  -0.02417882 -0.02714768   -0.0030
          ------------------------------------
          TOT  0.49618938  0.53868816    0.0425
                           1.03487755
   ========================== 
      7   s =  0.16169086  0.17790482    0.0162
          p =  0.21246371  0.22782491    0.0154
          d =  0.10920776  0.11837676    0.0092
          f =  0.03700587  0.04172937    0.0047
          ns  -0.02417882 -0.02714768   -0.0030
          ------------------------------------
          TOT  0.49618938  0.53868816    0.0425
                           1.03487755
   ========================== 
      8   s =  0.21485878  0.22985309    0.0150
          p =  0.28786457  0.30385251    0.0160
          d =  0.14553319  0.15596390    0.0104
          f =  0.04134811  0.04753623    0.0062
          ns  -0.04353933 -0.05136487   -0.0078
          ------------------------------------
          TOT  0.64606532  0.68584086    0.0398
                           1.33190618
   ========================== 
      9   s =  0.81180027  0.85196108    0.0402
          p =  0.82086371  0.90241192    0.0815
          d =  0.08783591  0.09223681    0.0044
          f =  0.02077145  0.02236974    0.0016
          ns   0.01055818  0.01113572    0.0006
          ------------------------------------
          TOT  1.75182953  1.88011527    0.1283
                           3.63194480
   ========================== 
     10   s =  0.81183412  0.85197758    0.0401
          p =  0.82057408  0.90213487    0.0816
          d =  0.08783930  0.09224536    0.0044
          f =  0.02078182  0.02238045    0.0016
          ns   0.01057825  0.01115601    0.0006
          ------------------------------------
          TOT  1.75160757  1.87989428    0.1283
                           3.63150185
   ========================== 
     11   s =  0.81183412  0.85197758    0.0401
          p =  0.82057409  0.90213487    0.0816
          d =  0.08783930  0.09224536    0.0044
          f =  0.02078182  0.02238045    0.0016
          ns   0.01057825  0.01115601    0.0006
          ------------------------------------
          TOT  1.75160757  1.87989428    0.1283
                           3.63150185
   ========================== 
     12   s =  0.23645469  0.25605345    0.0196
          p =  0.31478410  0.33566504    0.0209
          d =  0.16191201  0.17594729    0.0140
          f =  0.05211110  0.05938313    0.0073
          ns  -0.11502957 -0.12923780   -0.0142
          ------------------------------------
          TOT  0.65023234  0.69781111    0.0476
                           1.34804345
   ========================== 
     13   s =  0.84695296  0.86417797    0.0172
          p =  1.27146879  1.49967569    0.2282
          d =  0.05063712  0.05164973    0.0010
          f =  0.01194895  0.01212469    0.0002
          ns   0.00263972  0.00131984   -0.0013
          ------------------------------------
          TOT  2.18364754  2.42894793    0.2453
                           4.61259547
   ========================== 
     14   s =  0.84693152  0.86416436    0.0172
          p =  1.27156683  1.49972360    0.2282
          d =  0.05063842  0.05165133    0.0010
          f =  0.01194899  0.01212406    0.0002
          ns   0.00265073  0.00133041   -0.0013
          ------------------------------------
          TOT  2.18373649  2.42899376    0.2453
                           4.61273025
   ========================== 
     15   s =  0.84693152  0.86416436    0.0172
          p =  1.27156683  1.49972360    0.2282
          d =  0.05063842  0.05165133    0.0010
          f =  0.01194899  0.01212406    0.0002
          ns   0.00265073  0.00133041   -0.0013
          ------------------------------------
          TOT  2.18373649  2.42899376    0.2453
                           4.61273025
   ========================== 
     16   s =  0.84851093  0.86496337    0.0165
          p =  1.29545594  1.49760239    0.2021
          d =  0.05070506  0.05200850    0.0013
          f =  0.01190850  0.01226864    0.0004
          ns   0.00418014  0.00307494   -0.0011
          ------------------------------------
          TOT  2.21076056  2.42991784    0.2192
                           4.64067841
   ========================== 
     17   s =  0.84847830  0.86493230    0.0165
          p =  1.29538658  1.49746869    0.2021
          d =  0.05071290  0.05201668    0.0013
          f =  0.01190663  0.01226735    0.0004
          ns   0.00419377  0.00309220   -0.0011
          ------------------------------------
          TOT  2.21067818  2.42977722    0.2191
                           4.64045540
   ========================== 
     18   s =  0.84847830  0.86493230    0.0165
          p =  1.29538658  1.49746870    0.2021
          d =  0.05071290  0.05201668    0.0013
          f =  0.01190663  0.01226735    0.0004
          ns   0.00419377  0.00309220   -0.0011
          ------------------------------------
          TOT  2.21067818  2.42977722    0.2191
                           4.64045540
   ========================== 
     19   s =  0.84851093  0.86496337    0.0165
          p =  1.29545594  1.49760239    0.2021
          d =  0.05070506  0.05200850    0.0013
          f =  0.01190850  0.01226864    0.0004
          ns   0.00418014  0.00307494   -0.0011
          ------------------------------------
          TOT  2.21076057  2.42991784    0.2192
                           4.64067841
   ========================== 
     20   s =  0.84846758  0.86492899    0.0165
          p =  1.29554041  1.49765123    0.2021
          d =  0.05071511  0.05202230    0.0013
          f =  0.01190740  0.01226682    0.0004
          ns   0.00418405  0.00308161   -0.0011
          ------------------------------------
          TOT  2.21081455  2.42995096    0.2191
                           4.64076550
   ========================== 
     21   s =  0.84846758  0.86492899    0.0165
          p =  1.29554041  1.49765123    0.2021
          d =  0.05071511  0.05202230    0.0013
          f =  0.01190740  0.01226682    0.0004
          ns   0.00418405  0.00308161   -0.0011
          ------------------------------------
          TOT  2.21081455  2.42995096    0.2191
                           4.64076550
   ========================== 
     22   s =  0.83965614  0.85857075    0.0189
          p =  1.32723583  1.53171366    0.2045
          d =  0.04845748  0.05081047    0.0024
          f =  0.01225682  0.01250581    0.0002
          ns   0.02398067  0.02206287   -0.0019
          ------------------------------------
          TOT  2.25158694  2.47566356    0.2241
                           4.72725050
   ========================== 
     23   s =  0.83965736  0.85857400    0.0189
          p =  1.32720094  1.53168963    0.2045
          d =  0.04845835  0.05081171    0.0024
          f =  0.01225613  0.01250769    0.0003
          ns   0.02398230  0.02206325   -0.0019
          ------------------------------------
          TOT  2.25155508  2.47564627    0.2241
                           4.72720135
   ========================== 
     24   s =  0.83965736  0.85857400    0.0189
          p =  1.32720094  1.53168963    0.2045
          d =  0.04845835  0.05081171    0.0024
          f =  0.01225613  0.01250769    0.0003
          ns   0.02398230  0.02206325   -0.0019
          ------------------------------------
          TOT  2.25155508  2.47564627    0.2241
                           4.72720135
 
############################################
 
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<<  end WRMOMS <<<<<<<<<<<<<<<<<<< 
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> rhocore >>>>>>>>>>>>>>>>>>>>>
 ----------------------------------------------------
 -------           MODULE RHOCORE             -------
 ----------------------------------------------------
 ATOM           1
    nuclear charge   77.000000         core charge =    68.000000
 ATOM           2
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           3
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           4
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           5
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           6
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           7
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           8
    nuclear charge    0.000000         core charge =     0.000000
 ATOM           9
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          10
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          11
    nuclear charge   51.000000         core charge =    46.000000
 ATOM          12
    nuclear charge    0.000000         core charge =     0.000000
 ATOM          13
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          14
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          15
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          16
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          17
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          18
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          19
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          20
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          21
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          22
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          23
    nuclear charge   52.000000         core charge =    46.000000
 ATOM          24
    nuclear charge   52.000000         core charge =    46.000000
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<< end rhocore <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> rhototb >>>>>>>>>>>>>>>>>>>>>
  Atom    1 charge in wigner seitz cell =   76.180438
       spin moment in wigner seitz cell =    0.849189
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -0.819562
                              spin magnetic moment =     0.849189
 
  Atom    2 charge in wigner seitz cell =    1.367843
       spin moment in wigner seitz cell =    0.041377
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.367843
                              spin magnetic moment =     0.041377
 
  Atom    3 charge in wigner seitz cell =    1.367114
       spin moment in wigner seitz cell =    0.041363
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.367114
                              spin magnetic moment =     0.041363
 
  Atom    4 charge in wigner seitz cell =    1.367114
       spin moment in wigner seitz cell =    0.041363
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.367114
                              spin magnetic moment =     0.041363
 
  Atom    5 charge in wigner seitz cell =    1.035034
       spin moment in wigner seitz cell =    0.042548
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.035034
                              spin magnetic moment =     0.042548
 
  Atom    6 charge in wigner seitz cell =    1.034877
       spin moment in wigner seitz cell =    0.042499
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.034877
                              spin magnetic moment =     0.042499
 
  Atom    7 charge in wigner seitz cell =    1.034877
       spin moment in wigner seitz cell =    0.042499
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.034877
                              spin magnetic moment =     0.042499
 
  Atom    8 charge in wigner seitz cell =    1.331903
       spin moment in wigner seitz cell =    0.039775
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.331903
                              spin magnetic moment =     0.039775
 
  Atom    9 charge in wigner seitz cell =   49.631942
       spin moment in wigner seitz cell =    0.128286
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.368058
                              spin magnetic moment =     0.128286
 
  Atom   10 charge in wigner seitz cell =   49.631499
       spin moment in wigner seitz cell =    0.128287
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.368501
                              spin magnetic moment =     0.128287
 
  Atom   11 charge in wigner seitz cell =   49.631499
       spin moment in wigner seitz cell =    0.128287
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.368501
                              spin magnetic moment =     0.128287
 
  Atom   12 charge in wigner seitz cell =    1.348041
       spin moment in wigner seitz cell =    0.047579
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =     1.348041
                              spin magnetic moment =     0.047579
 
  Atom   13 charge in wigner seitz cell =   50.612593
       spin moment in wigner seitz cell =    0.245300
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.387407
                              spin magnetic moment =     0.245300
 
  Atom   14 charge in wigner seitz cell =   50.612728
       spin moment in wigner seitz cell =    0.245257
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.387272
                              spin magnetic moment =     0.245257
 
  Atom   15 charge in wigner seitz cell =   50.612728
       spin moment in wigner seitz cell =    0.245257
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.387272
                              spin magnetic moment =     0.245257
 
  Atom   16 charge in wigner seitz cell =   50.640676
       spin moment in wigner seitz cell =    0.219157
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.359324
                              spin magnetic moment =     0.219157
 
  Atom   17 charge in wigner seitz cell =   50.640453
       spin moment in wigner seitz cell =    0.219099
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.359547
                              spin magnetic moment =     0.219099
 
  Atom   18 charge in wigner seitz cell =   50.640453
       spin moment in wigner seitz cell =    0.219099
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.359547
                              spin magnetic moment =     0.219099
 
  Atom   19 charge in wigner seitz cell =   50.640676
       spin moment in wigner seitz cell =    0.219157
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.359324
                              spin magnetic moment =     0.219157
 
  Atom   20 charge in wigner seitz cell =   50.640763
       spin moment in wigner seitz cell =    0.219136
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.359237
                              spin magnetic moment =     0.219136
 
  Atom   21 charge in wigner seitz cell =   50.640763
       spin moment in wigner seitz cell =    0.219136
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.359237
                              spin magnetic moment =     0.219136
 
  Atom   22 charge in wigner seitz cell =   50.727249
       spin moment in wigner seitz cell =    0.224077
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.272751
                              spin magnetic moment =     0.224077
 
  Atom   23 charge in wigner seitz cell =   50.727200
       spin moment in wigner seitz cell =    0.224091
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.272800
                              spin magnetic moment =     0.224091
 
  Atom   24 charge in wigner seitz cell =   50.727200
       spin moment in wigner seitz cell =    0.224091
+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
      ITERATION  19 charge neutrality in unit cell =    -1.272800
                              spin magnetic moment =     0.224091
 
                    TOTAL mag. moment in unit cell =     4.295911
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<< end rhototb <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> vintras >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<< end vintras <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> vinters2010 >>>>>>>>>>>>>>>>>>>>> 
25.03.2020 20:42:14:  <<<<<<<<<<<<<<<<<<< end vinters2010 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> total energy >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:14:  >>>>>>>>>>>>>>>>>>>>> vxcdrv >>>>>>>>>>>>>>>>>>>>>
  SPHERE : read LEBEDEV mesh
 SPHERE for GGA: read LEBEDEV mesh
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
 Including cutoff of vxc for small density
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end vxcdrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> shift >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end shift <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> convoldrv >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end convoldrv <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> mixstr >>>>>>>>>>>>>>>>>>>>>
      rms-error for atom  1 :v+ + v- =  8.9994D-02  ,  v+ - v- =  2.5392D-02
      rms-error non spherical contribution for atom   1 :v+ + v- =  1.5003D-01  ,  v+ - v- =  2.4216D-03
      rms-error for atom  2 :v+ + v- =  9.6493D-03  ,  v+ - v- =  3.0729D-02
      rms-error non spherical contribution for atom   2 :v+ + v- =  1.0734D-02  ,  v+ - v- =  8.8014D-04
      rms-error for atom  3 :v+ + v- =  9.8257D-03  ,  v+ - v- =  3.0728D-02
      rms-error non spherical contribution for atom   3 :v+ + v- =  1.1378D-02  ,  v+ - v- =  8.8454D-04
      rms-error for atom  4 :v+ + v- =  9.8257D-03  ,  v+ - v- =  3.0728D-02
      rms-error non spherical contribution for atom   4 :v+ + v- =  1.1378D-02  ,  v+ - v- =  8.8454D-04
      rms-error for atom  5 :v+ + v- =  2.3042D-02  ,  v+ - v- =  3.6251D-02
      rms-error non spherical contribution for atom   5 :v+ + v- =  1.1779D-02  ,  v+ - v- =  4.8596D-04
      rms-error for atom  6 :v+ + v- =  2.2953D-02  ,  v+ - v- =  3.6253D-02
      rms-error non spherical contribution for atom   6 :v+ + v- =  1.2207D-02  ,  v+ - v- =  4.9013D-04
      rms-error for atom  7 :v+ + v- =  2.2953D-02  ,  v+ - v- =  3.6253D-02
      rms-error non spherical contribution for atom   7 :v+ + v- =  1.2207D-02  ,  v+ - v- =  4.9013D-04
      rms-error for atom  8 :v+ + v- =  5.0287D-03  ,  v+ - v- =  3.3667D-02
      rms-error non spherical contribution for atom   8 :v+ + v- =  7.5700D-03  ,  v+ - v- =  5.9454D-04
      rms-error for atom  9 :v+ + v- =  1.0029D-02  ,  v+ - v- =  3.6185D-02
      rms-error non spherical contribution for atom   9 :v+ + v- =  7.9891D-03  ,  v+ - v- =  5.2172D-04
      rms-error for atom 10 :v+ + v- =  1.0110D-02  ,  v+ - v- =  3.6185D-02
      rms-error non spherical contribution for atom  10 :v+ + v- =  8.1941D-03  ,  v+ - v- =  5.2277D-04
      rms-error for atom 11 :v+ + v- =  1.0110D-02  ,  v+ - v- =  3.6185D-02
      rms-error non spherical contribution for atom  11 :v+ + v- =  8.1941D-03  ,  v+ - v- =  5.2277D-04
      rms-error for atom 12 :v+ + v- =  2.7303D-02  ,  v+ - v- =  3.0503D-02
      rms-error non spherical contribution for atom  12 :v+ + v- =  1.4142D-02  ,  v+ - v- =  6.0922D-04
      rms-error for atom 13 :v+ + v- =  1.7818D-02  ,  v+ - v- =  2.9721D-02
      rms-error non spherical contribution for atom  13 :v+ + v- =  1.2909D-02  ,  v+ - v- =  4.9908D-04
      rms-error for atom 14 :v+ + v- =  1.7834D-02  ,  v+ - v- =  2.9722D-02
      rms-error non spherical contribution for atom  14 :v+ + v- =  1.2888D-02  ,  v+ - v- =  5.0313D-04
      rms-error for atom 15 :v+ + v- =  1.7834D-02  ,  v+ - v- =  2.9722D-02
      rms-error non spherical contribution for atom  15 :v+ + v- =  1.2888D-02  ,  v+ - v- =  5.0313D-04
      rms-error for atom 16 :v+ + v- =  4.5919D-03  ,  v+ - v- =  2.9923D-02
      rms-error non spherical contribution for atom  16 :v+ + v- =  5.6232D-03  ,  v+ - v- =  7.3521D-04
      rms-error for atom 17 :v+ + v- =  4.5758D-03  ,  v+ - v- =  2.9923D-02
      rms-error non spherical contribution for atom  17 :v+ + v- =  5.5646D-03  ,  v+ - v- =  7.0805D-04
      rms-error for atom 18 :v+ + v- =  4.5758D-03  ,  v+ - v- =  2.9923D-02
      rms-error non spherical contribution for atom  18 :v+ + v- =  5.5646D-03  ,  v+ - v- =  7.0805D-04
      rms-error for atom 19 :v+ + v- =  4.5919D-03  ,  v+ - v- =  2.9923D-02
      rms-error non spherical contribution for atom  19 :v+ + v- =  5.6232D-03  ,  v+ - v- =  7.3521D-04
      rms-error for atom 20 :v+ + v- =  4.5936D-03  ,  v+ - v- =  2.9923D-02
      rms-error non spherical contribution for atom  20 :v+ + v- =  5.6505D-03  ,  v+ - v- =  7.5538D-04
      rms-error for atom 21 :v+ + v- =  4.5936D-03  ,  v+ - v- =  2.9923D-02
      rms-error non spherical contribution for atom  21 :v+ + v- =  5.6505D-03  ,  v+ - v- =  7.5538D-04
      rms-error for atom 22 :v+ + v- =  2.1118D-03  ,  v+ - v- =  3.2739D-02
      rms-error non spherical contribution for atom  22 :v+ + v- =  4.3665D-03  ,  v+ - v- =  3.9861D-04
      rms-error for atom 23 :v+ + v- =  2.1009D-03  ,  v+ - v- =  3.2738D-02
      rms-error non spherical contribution for atom  23 :v+ + v- =  4.3634D-03  ,  v+ - v- =  4.0195D-04
      rms-error for atom 24 :v+ + v- =  2.1009D-03  ,  v+ - v- =  3.2738D-02
      rms-error non spherical contribution for atom  24 :v+ + v- =  4.3634D-03  ,  v+ - v- =  4.0195D-04
      ITERATION  19 average rms-error : v+ + v- =  3.9082D-02
                                        v+ - v- =  3.2058D-02
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end MIXSTR <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> copy pot >>>>>>>>>>>>>>>>>>>>>
 cutting pot. ispin           1 iatom           1 ilm           2 rms
  1.126848803544703E-005
 cutting pot. ispin           1 iatom           1 ilm           4 rms
  4.768155755999040E-010
 cutting pot. ispin           1 iatom           1 ilm           5 rms
  3.057599720607928E-010
 cutting pot. ispin           1 iatom           1 ilm           6 rms
  1.846801311770388E-006
 cutting pot. ispin           1 iatom           1 ilm           8 rms
  4.081020373296847E-010
 cutting pot. ispin           1 iatom           1 ilm           9 rms
  1.262497382501189E-006
 cutting pot. ispin           1 iatom           1 ilm          11 rms
  7.177838635720657E-011
 cutting pot. ispin           1 iatom           1 ilm          12 rms
  5.699611573013986E-006
 cutting pot. ispin           1 iatom           1 ilm          14 rms
  9.389426783332314E-011
 cutting pot. ispin           1 iatom           1 ilm          15 rms
  1.739359615231538E-006
 cutting pot. ispin           1 iatom           1 ilm          16 rms
  9.368787028664502E-011
 cutting pot. ispin           1 iatom           1 ilm          17 rms
  1.597767100224611E-010
 cutting pot. ispin           1 iatom           1 ilm          19 rms
  6.760304938720175E-011
 cutting pot. ispin           1 iatom           1 ilm          20 rms
  2.067866530280410E-006
 cutting pot. ispin           1 iatom           1 ilm          22 rms
  1.778828987086024E-010
 cutting pot. ispin           1 iatom           1 ilm          23 rms
  4.577323907059709E-006
 cutting pot. ispin           1 iatom           1 ilm          24 rms
  6.222905735636470E-011
 cutting pot. ispin           1 iatom           1 ilm          25 rms
  4.067850989162364E-006
 cutting pot. ispin           1 iatom           1 ilm          26 rms
  1.038408136632917E-006
 cutting pot. ispin           1 iatom           1 ilm          27 rms
  1.367122532176265E-010
 cutting pot. ispin           1 iatom           1 ilm          29 rms
  1.277015334992927E-010
 cutting pot. ispin           1 iatom           1 ilm          30 rms
  1.091211011270857E-006
 cutting pot. ispin           1 iatom           1 ilm          32 rms
  7.872570217905085E-011
 cutting pot. ispin           1 iatom           1 ilm          33 rms
  7.411756463107021E-007
 cutting pot. ispin           1 iatom           1 ilm          34 rms
  7.907741473957490E-011
 cutting pot. ispin           1 iatom           1 ilm          35 rms
  1.023502793170169E-006
 cutting pot. ispin           1 iatom           1 ilm          36 rms
  1.218177322408913E-010
 cutting pot. ispin           1 iatom           1 ilm          37 rms
  1.106167422457482E-010
 cutting pot. ispin           1 iatom           1 ilm          38 rms
  7.901440093388502E-007
 cutting pot. ispin           1 iatom           1 ilm          39 rms
  7.606448131805219E-011
 cutting pot. ispin           1 iatom           1 ilm          41 rms
  4.064599167192986E-011
 cutting pot. ispin           1 iatom           1 ilm          42 rms
  1.242298803989986E-006
 cutting pot. ispin           1 iatom           1 ilm          44 rms
  7.630253980598268E-011
 cutting pot. ispin           1 iatom           1 ilm          45 rms
  7.811948007480733E-007
 cutting pot. ispin           1 iatom           1 ilm          46 rms
  6.770367987153492E-011
 cutting pot. ispin           1 iatom           1 ilm          47 rms
  4.637975499363890E-007
 cutting pot. ispin           1 iatom           1 ilm          48 rms
  8.932665789351306E-011
 cutting pot. ispin           1 iatom           2 ilm           4 rms
  1.608740470105551E-010
 cutting pot. ispin           1 iatom           2 ilm           5 rms
  3.766654447285655E-010
 cutting pot. ispin           1 iatom           2 ilm           8 rms
  7.774820591031943E-010
 cutting pot. ispin           1 iatom           2 ilm          11 rms
  7.467593418507775E-011
 cutting pot. ispin           1 iatom           2 ilm          14 rms
  1.808929566397345E-010
 cutting pot. ispin           1 iatom           2 ilm          16 rms
  1.550219468709497E-010
 cutting pot. ispin           1 iatom           2 ilm          17 rms
  2.593137361776281E-010
 cutting pot. ispin           1 iatom           2 ilm          19 rms
  1.225665428718586E-010
 cutting pot. ispin           1 iatom           2 ilm          22 rms
  1.912041505035662E-010
 cutting pot. ispin           1 iatom           2 ilm          24 rms
  2.907651584215016E-010
 cutting pot. ispin           1 iatom           2 ilm          27 rms
  9.365019377508869E-011
 cutting pot. ispin           1 iatom           2 ilm          29 rms
  5.582391072907677E-011
 cutting pot. ispin           1 iatom           2 ilm          30 rms
  3.544417854486327E-004
 cutting pot. ispin           1 iatom           2 ilm          32 rms
  5.223921528357034E-011
 cutting pot. ispin           1 iatom           2 ilm          34 rms
  7.526624689634637E-011
 cutting pot. ispin           1 iatom           2 ilm          36 rms
  7.540171046546045E-011
 cutting pot. ispin           1 iatom           2 ilm          37 rms
  1.149069634553123E-010
 cutting pot. ispin           1 iatom           2 ilm          38 rms
  5.963934153662776E-004
 cutting pot. ispin           1 iatom           2 ilm          39 rms
  8.897531891604811E-011
 cutting pot. ispin           1 iatom           2 ilm          41 rms
  1.104313661537449E-010
 cutting pot. ispin           1 iatom           2 ilm          44 rms
  1.042329475252017E-010
 cutting pot. ispin           1 iatom           2 ilm          45 rms
  3.562185275332875E-004
 cutting pot. ispin           1 iatom           2 ilm          46 rms
  4.718363440589153E-011
 cutting pot. ispin           1 iatom           2 ilm          48 rms
  1.184577306065117E-010
 cutting pot. ispin           1 iatom           3 ilm           6 rms
  3.690911533700369E-004
 cutting pot. ispin           1 iatom           3 ilm          16 rms
  3.659262167416299E-006
 cutting pot. ispin           1 iatom           3 ilm          20 rms
  2.879853958918040E-004
 cutting pot. ispin           1 iatom           3 ilm          22 rms
  5.004351877363664E-004
 cutting pot. ispin           1 iatom           3 ilm          24 rms
  1.128174927154649E-006
 cutting pot. ispin           1 iatom           3 ilm          26 rms
  5.215102555064797E-004
 cutting pot. ispin           1 iatom           3 ilm          30 rms
  1.770888530651441E-004
 cutting pot. ispin           1 iatom           3 ilm          32 rms
  3.076310345064653E-004
 cutting pot. ispin           1 iatom           3 ilm          33 rms
  4.014753630930449E-004
 cutting pot. ispin           1 iatom           3 ilm          34 rms
  5.006744891285349E-007
 cutting pot. ispin           1 iatom           3 ilm          37 rms
  9.279610727597382E-007
 cutting pot. ispin           1 iatom           3 ilm          38 rms
  2.985079167105437E-004
 cutting pot. ispin           1 iatom           3 ilm          41 rms
  3.093940767788011E-004
 cutting pot. ispin           1 iatom           3 ilm          42 rms
  3.276836626299861E-004
 cutting pot. ispin           1 iatom           3 ilm          45 rms
  1.770125759366831E-004
 cutting pot. ispin           1 iatom           3 ilm          46 rms
  5.137324677105100E-007
 cutting pot. ispin           1 iatom           3 ilm          47 rms
  3.172576189729824E-004
 cutting pot. ispin           1 iatom           3 ilm          48 rms
  5.164975289194099E-004
 cutting pot. ispin           1 iatom           4 ilm           6 rms
  3.690911254762886E-004
 cutting pot. ispin           1 iatom           4 ilm          16 rms
  3.658852254708684E-006
 cutting pot. ispin           1 iatom           4 ilm          20 rms
  2.879853850474277E-004
 cutting pot. ispin           1 iatom           4 ilm          22 rms
  5.004352946250087E-004
 cutting pot. ispin           1 iatom           4 ilm          24 rms
  1.127554289975062E-006
 cutting pot. ispin           1 iatom           4 ilm          26 rms
  5.215102262108011E-004
 cutting pot. ispin           1 iatom           4 ilm          30 rms
  1.770888438641273E-004
 cutting pot. ispin           1 iatom           4 ilm          32 rms
  3.076310315554461E-004
 cutting pot. ispin           1 iatom           4 ilm          33 rms
  4.014753417906406E-004
 cutting pot. ispin           1 iatom           4 ilm          34 rms
  5.007618906498737E-007
 cutting pot. ispin           1 iatom           4 ilm          37 rms
  9.278670551832738E-007
 cutting pot. ispin           1 iatom           4 ilm          38 rms
  2.985079127182817E-004
 cutting pot. ispin           1 iatom           4 ilm          41 rms
  3.093941240815446E-004
 cutting pot. ispin           1 iatom           4 ilm          42 rms
  3.276836443500167E-004
 cutting pot. ispin           1 iatom           4 ilm          45 rms
  1.770125651423616E-004
 cutting pot. ispin           1 iatom           4 ilm          46 rms
  5.137143777622423E-007
 cutting pot. ispin           1 iatom           4 ilm          47 rms
  3.172575944114614E-004
 cutting pot. ispin           1 iatom           4 ilm          48 rms
  5.164976491868734E-004
 cutting pot. ispin           1 iatom           5 ilm           4 rms
  5.922304089235412E-011
 cutting pot. ispin           1 iatom           5 ilm           5 rms
  2.477366923688965E-010
 cutting pot. ispin           1 iatom           5 ilm           8 rms
  8.253195402284621E-010
 cutting pot. ispin           1 iatom           5 ilm          10 rms
  6.835040361692379E-004
 cutting pot. ispin           1 iatom           5 ilm          11 rms
  1.631187638206498E-011
 cutting pot. ispin           1 iatom           5 ilm          13 rms
  7.765633677182177E-004
 cutting pot. ispin           1 iatom           5 ilm          14 rms
  7.386048700919659E-012
 cutting pot. ispin           1 iatom           5 ilm          16 rms
  4.056842742423096E-011
 cutting pot. ispin           1 iatom           5 ilm          17 rms
  1.348458804715651E-010
 cutting pot. ispin           1 iatom           5 ilm          19 rms
  9.513454005506494E-011
 cutting pot. ispin           1 iatom           5 ilm          20 rms
  5.165355850614027E-004
 cutting pot. ispin           1 iatom           5 ilm          22 rms
  1.440173169057579E-010
 cutting pot. ispin           1 iatom           5 ilm          23 rms
  3.314978981149963E-004
 cutting pot. ispin           1 iatom           5 ilm          24 rms
  3.275400971197055E-010
 cutting pot. ispin           1 iatom           5 ilm          25 rms
  4.629506047579592E-004
 cutting pot. ispin           1 iatom           5 ilm          27 rms
  1.131961348517624E-011
 cutting pot. ispin           1 iatom           5 ilm          28 rms
  5.189156780707770E-004
 cutting pot. ispin           1 iatom           5 ilm          29 rms
  2.591044730059923E-012
 cutting pot. ispin           1 iatom           5 ilm          31 rms
  1.672786963425427E-004
 cutting pot. ispin           1 iatom           5 ilm          32 rms
  9.304591183447816E-012
 cutting pot. ispin           1 iatom           5 ilm          34 rms
  1.024376564093531E-011
 cutting pot. ispin           1 iatom           5 ilm          36 rms
  8.840145941633977E-012
 cutting pot. ispin           1 iatom           5 ilm          37 rms
  6.354423516918851E-011
 cutting pot. ispin           1 iatom           5 ilm          39 rms
  1.297528754387537E-010
 cutting pot. ispin           1 iatom           5 ilm          41 rms
  7.454424230010778E-011
 cutting pot. ispin           1 iatom           5 ilm          42 rms
  2.238371292442481E-004
 cutting pot. ispin           1 iatom           5 ilm          44 rms
  7.614240159446034E-011
 cutting pot. ispin           1 iatom           5 ilm          45 rms
  5.030463478645528E-004
 cutting pot. ispin           1 iatom           5 ilm          46 rms
  3.910679271584336E-011
 cutting pot. ispin           1 iatom           5 ilm          47 rms
  5.167309773200987E-004
 cutting pot. ispin           1 iatom           5 ilm          48 rms
  1.519079679360768E-010
 cutting pot. ispin           1 iatom           6 ilm          10 rms
  6.834875818361449E-004
 cutting pot. ispin           1 iatom           6 ilm          12 rms
  3.236799728931667E-004
 cutting pot. ispin           1 iatom           6 ilm          13 rms
  7.782559441423993E-004
 cutting pot. ispin           1 iatom           6 ilm          15 rms
  5.978704609592356E-004
 cutting pot. ispin           1 iatom           6 ilm          16 rms
  6.242367461711691E-006
 cutting pot. ispin           1 iatom           6 ilm          17 rms
  3.998893428409911E-004
 cutting pot. ispin           1 iatom           6 ilm          19 rms
  2.862716240405058E-004
 cutting pot. ispin           1 iatom           6 ilm          20 rms
  2.581240562907048E-004
 cutting pot. ispin           1 iatom           6 ilm          22 rms
  4.461424134550464E-004
 cutting pot. ispin           1 iatom           6 ilm          23 rms
  1.667620237744645E-004
 cutting pot. ispin           1 iatom           6 ilm          24 rms
  3.366267169076505E-006
 cutting pot. ispin           1 iatom           6 ilm          25 rms
  2.310824813360284E-004
 cutting pot. ispin           1 iatom           6 ilm          26 rms
  1.924852011242932E-004
 cutting pot. ispin           1 iatom           6 ilm          28 rms
  5.196539417358588E-004
 cutting pot. ispin           1 iatom           6 ilm          31 rms
  1.674635649254206E-004
 cutting pot. ispin           1 iatom           6 ilm          33 rms
  1.546194692726946E-004
 cutting pot. ispin           1 iatom           6 ilm          34 rms
  1.347555139196569E-006
 cutting pot. ispin           1 iatom           6 ilm          37 rms
  7.312039583599337E-007
 cutting pot. ispin           1 iatom           6 ilm          38 rms
  3.158909060015077E-004
 cutting pot. ispin           1 iatom           6 ilm          39 rms
  4.475977804930382E-004
 cutting pot. ispin           1 iatom           6 ilm          41 rms
  4.341614133842556E-004
 cutting pot. ispin           1 iatom           6 ilm          42 rms
  1.117566803676094E-004
 cutting pot. ispin           1 iatom           6 ilm          44 rms
  1.947694529114258E-004
 cutting pot. ispin           1 iatom           6 ilm          45 rms
  2.515049579487415E-004
 cutting pot. ispin           1 iatom           6 ilm          46 rms
  1.415148681113200E-007
 cutting pot. ispin           1 iatom           6 ilm          47 rms
  2.585067369745356E-004
 cutting pot. ispin           1 iatom           6 ilm          48 rms
  5.466704309504594E-004
 cutting pot. ispin           1 iatom           7 ilm          10 rms
  6.834875536047486E-004
 cutting pot. ispin           1 iatom           7 ilm          12 rms
  3.236799532489849E-004
 cutting pot. ispin           1 iatom           7 ilm          13 rms
  7.782559079543545E-004
 cutting pot. ispin           1 iatom           7 ilm          15 rms
  5.978704445287504E-004
 cutting pot. ispin           1 iatom           7 ilm          16 rms
  6.242349840033691E-006
 cutting pot. ispin           1 iatom           7 ilm          17 rms
  3.998895227801999E-004
 cutting pot. ispin           1 iatom           7 ilm          19 rms
  2.862717517070264E-004
 cutting pot. ispin           1 iatom           7 ilm          20 rms
  2.581240467953083E-004
 cutting pot. ispin           1 iatom           7 ilm          22 rms
  4.461426092647793E-004
 cutting pot. ispin           1 iatom           7 ilm          23 rms
  1.667620183195936E-004
 cutting pot. ispin           1 iatom           7 ilm          24 rms
  3.366975534672099E-006
 cutting pot. ispin           1 iatom           7 ilm          25 rms
  2.310824747288102E-004
 cutting pot. ispin           1 iatom           7 ilm          26 rms
  1.924851892714654E-004
 cutting pot. ispin           1 iatom           7 ilm          28 rms
  5.196539271481720E-004
 cutting pot. ispin           1 iatom           7 ilm          31 rms
  1.674635532976212E-004
 cutting pot. ispin           1 iatom           7 ilm          33 rms
  1.546194556987530E-004
 cutting pot. ispin           1 iatom           7 ilm          34 rms
  1.347549295675125E-006
 cutting pot. ispin           1 iatom           7 ilm          37 rms
  7.313361664297624E-007
 cutting pot. ispin           1 iatom           7 ilm          38 rms
  3.158908971488432E-004
 cutting pot. ispin           1 iatom           7 ilm          39 rms
  4.475980302673956E-004
 cutting pot. ispin           1 iatom           7 ilm          41 rms
  4.341614871540482E-004
 cutting pot. ispin           1 iatom           7 ilm          42 rms
  1.117566756904831E-004
 cutting pot. ispin           1 iatom           7 ilm          44 rms
  1.947696113747084E-004
 cutting pot. ispin           1 iatom           7 ilm          45 rms
  2.515049481110748E-004
 cutting pot. ispin           1 iatom           7 ilm          46 rms
  1.415172744159588E-007
 cutting pot. ispin           1 iatom           7 ilm          47 rms
  2.585067277778551E-004
 cutting pot. ispin           1 iatom           7 ilm          48 rms
  5.466707046684543E-004
 cutting pot. ispin           1 iatom           8 ilm           2 rms
  1.909630376799304E-005
 cutting pot. ispin           1 iatom           8 ilm           4 rms
  9.476041535573319E-011
 cutting pot. ispin           1 iatom           8 ilm           5 rms
  2.583899801825781E-010
 cutting pot. ispin           1 iatom           8 ilm           6 rms
  6.958787650264999E-006
 cutting pot. ispin           1 iatom           8 ilm           8 rms
  8.539997892582923E-010
 cutting pot. ispin           1 iatom           8 ilm           9 rms
  3.926626456007789E-006
 cutting pot. ispin           1 iatom           8 ilm          11 rms
  9.851352842705952E-011
 cutting pot. ispin           1 iatom           8 ilm          12 rms
  4.373272520625063E-006
 cutting pot. ispin           1 iatom           8 ilm          14 rms
  1.070364554002247E-010
 cutting pot. ispin           1 iatom           8 ilm          15 rms
  3.264370340608453E-006
 cutting pot. ispin           1 iatom           8 ilm          16 rms
  1.130652119315602E-010
 cutting pot. ispin           1 iatom           8 ilm          17 rms
  2.524979000136870E-010
 cutting pot. ispin           1 iatom           8 ilm          19 rms
  6.472969414672218E-011
 cutting pot. ispin           1 iatom           8 ilm          20 rms
  8.909902360821436E-007
 cutting pot. ispin           1 iatom           8 ilm          22 rms
  1.931035193088515E-010
 cutting pot. ispin           1 iatom           8 ilm          23 rms
  2.597352671154909E-006
 cutting pot. ispin           1 iatom           8 ilm          24 rms
  3.707770345706894E-010
 cutting pot. ispin           1 iatom           8 ilm          25 rms
  9.242011601252764E-007
 cutting pot. ispin           1 iatom           8 ilm          26 rms
  1.711206199624984E-006
 cutting pot. ispin           1 iatom           8 ilm          27 rms
  8.142261703888312E-011
 cutting pot. ispin           1 iatom           8 ilm          29 rms
  3.462055101137412E-011
 cutting pot. ispin           1 iatom           8 ilm          30 rms
  1.273138820482919E-006
 cutting pot. ispin           1 iatom           8 ilm          32 rms
  6.143185347807584E-011
 cutting pot. ispin           1 iatom           8 ilm          33 rms
  9.910346446725039E-007
 cutting pot. ispin           1 iatom           8 ilm          34 rms
  6.261022107651166E-011
 cutting pot. ispin           1 iatom           8 ilm          35 rms
  3.186975756745919E-006
 cutting pot. ispin           1 iatom           8 ilm          36 rms
  5.325240464744321E-011
 cutting pot. ispin           1 iatom           8 ilm          37 rms
  1.165279657274730E-010
 cutting pot. ispin           1 iatom           8 ilm          38 rms
  8.971266550477254E-007
 cutting pot. ispin           1 iatom           8 ilm          39 rms
  9.962892320690720E-011
 cutting pot. ispin           1 iatom           8 ilm          41 rms
  5.937613754512780E-011
 cutting pot. ispin           1 iatom           8 ilm          42 rms
  5.922345674263185E-007
 cutting pot. ispin           1 iatom           8 ilm          44 rms
  4.084346047519938E-011
 cutting pot. ispin           1 iatom           8 ilm          45 rms
  1.429588356838651E-006
 cutting pot. ispin           1 iatom           8 ilm          46 rms
  5.445055031404167E-011
 cutting pot. ispin           1 iatom           8 ilm          47 rms
  2.223306730756758E-006
 cutting pot. ispin           1 iatom           8 ilm          48 rms
  1.267442106785120E-010
 cutting pot. ispin           1 iatom           9 ilm           4 rms
  4.577028353732886E-011
 cutting pot. ispin           1 iatom           9 ilm           5 rms
  5.730518833616782E-011
 cutting pot. ispin           1 iatom           9 ilm           8 rms
  4.694812137221780E-010
 cutting pot. ispin           1 iatom           9 ilm          11 rms
  4.891013025056152E-011
 cutting pot. ispin           1 iatom           9 ilm          12 rms
  3.269376268147011E-004
 cutting pot. ispin           1 iatom           9 ilm          14 rms
  2.172812796200317E-011
 cutting pot. ispin           1 iatom           9 ilm          16 rms
  3.668566954101146E-011
 cutting pot. ispin           1 iatom           9 ilm          17 rms
  6.896295056287064E-011
 cutting pot. ispin           1 iatom           9 ilm          19 rms
  8.492245614486544E-011
 cutting pot. ispin           1 iatom           9 ilm          20 rms
  3.392806792236070E-004
 cutting pot. ispin           1 iatom           9 ilm          22 rms
  8.359093898674665E-011
 cutting pot. ispin           1 iatom           9 ilm          23 rms
  3.988125303520619E-004
 cutting pot. ispin           1 iatom           9 ilm          24 rms
  9.477801566937123E-011
 cutting pot. ispin           1 iatom           9 ilm          25 rms
  3.277273780086178E-004
 cutting pot. ispin           1 iatom           9 ilm          26 rms
  2.858487840268072E-004
 cutting pot. ispin           1 iatom           9 ilm          27 rms
  4.978716740008684E-011
 cutting pot. ispin           1 iatom           9 ilm          29 rms
  5.511565720498916E-012
 cutting pot. ispin           1 iatom           9 ilm          32 rms
  6.384560638240972E-011
 cutting pot. ispin           1 iatom           9 ilm          33 rms
  2.852539673480162E-004
 cutting pot. ispin           1 iatom           9 ilm          34 rms
  1.617314407082557E-011
 cutting pot. ispin           1 iatom           9 ilm          36 rms
  1.353710366845281E-011
 cutting pot. ispin           1 iatom           9 ilm          37 rms
  9.319241254361655E-011
 cutting pot. ispin           1 iatom           9 ilm          38 rms
  1.998885492810151E-004
 cutting pot. ispin           1 iatom           9 ilm          39 rms
  8.215764857720714E-011
 cutting pot. ispin           1 iatom           9 ilm          41 rms
  7.372163586973217E-011
 cutting pot. ispin           1 iatom           9 ilm          42 rms
  5.089640280644501E-004
 cutting pot. ispin           1 iatom           9 ilm          44 rms
  3.482207063581504E-011
 cutting pot. ispin           1 iatom           9 ilm          45 rms
  3.959813625156840E-004
 cutting pot. ispin           1 iatom           9 ilm          46 rms
  4.913885789188239E-011
 cutting pot. ispin           1 iatom           9 ilm          47 rms
  2.456928424305243E-004
 cutting pot. ispin           1 iatom           9 ilm          48 rms
  6.819011129565942E-011
 cutting pot. ispin           1 iatom          10 ilm          12 rms
  1.654870190465668E-004
 cutting pot. ispin           1 iatom          10 ilm          14 rms
  2.816045245581757E-004
 cutting pot. ispin           1 iatom          10 ilm          16 rms
  6.919030768115767E-006
 cutting pot. ispin           1 iatom          10 ilm          17 rms
  2.837006994892914E-004
 cutting pot. ispin           1 iatom          10 ilm          19 rms
  3.434898083639795E-004
 cutting pot. ispin           1 iatom          10 ilm          20 rms
  1.692542523293329E-004
 cutting pot. ispin           1 iatom          10 ilm          22 rms
  2.939818099231414E-004
 cutting pot. ispin           1 iatom          10 ilm          23 rms
  1.991235137354912E-004
 cutting pot. ispin           1 iatom          10 ilm          24 rms
  1.686851633689096E-006
 cutting pot. ispin           1 iatom          10 ilm          25 rms
  1.626326005522657E-004
 cutting pot. ispin           1 iatom          10 ilm          26 rms
  1.405205843318002E-004
 cutting pot. ispin           1 iatom          10 ilm          29 rms
  2.482997291036416E-004
 cutting pot. ispin           1 iatom          10 ilm          30 rms
  3.605167535805213E-004
 cutting pot. ispin           1 iatom          10 ilm          33 rms
  1.414754121029602E-004
 cutting pot. ispin           1 iatom          10 ilm          34 rms
  1.552983329040323E-006
 cutting pot. ispin           1 iatom          10 ilm          35 rms
  3.290613036418118E-004
 cutting pot. ispin           1 iatom          10 ilm          36 rms
  2.480875632395094E-004
 cutting pot. ispin           1 iatom          10 ilm          37 rms
  4.651901713222773E-007
 cutting pot. ispin           1 iatom          10 ilm          38 rms
  1.009156129020465E-004
 cutting pot. ispin           1 iatom          10 ilm          39 rms
  2.135136382395503E-004
 cutting pot. ispin           1 iatom          10 ilm          41 rms
  3.421289563561964E-004
 cutting pot. ispin           1 iatom          10 ilm          42 rms
  2.544933741221366E-004
 cutting pot. ispin           1 iatom          10 ilm          44 rms
  4.409846130999041E-004
 cutting pot. ispin           1 iatom          10 ilm          45 rms
  1.985518857192968E-004
 cutting pot. ispin           1 iatom          10 ilm          46 rms
  3.557247541294852E-007
 cutting pot. ispin           1 iatom          10 ilm          47 rms
  1.225584538089686E-004
 cutting pot. ispin           1 iatom          10 ilm          48 rms
  1.728116442216139E-004
 cutting pot. ispin           1 iatom          11 ilm          12 rms
  1.654869990827974E-004
 cutting pot. ispin           1 iatom          11 ilm          14 rms
  2.816045249815661E-004
 cutting pot. ispin           1 iatom          11 ilm          16 rms
  6.919124992207780E-006
 cutting pot. ispin           1 iatom          11 ilm          17 rms
  2.837007492388907E-004
 cutting pot. ispin           1 iatom          11 ilm          19 rms
  3.434899016893167E-004
 cutting pot. ispin           1 iatom          11 ilm          20 rms
  1.692542443963103E-004
 cutting pot. ispin           1 iatom          11 ilm          22 rms
  2.939818935726093E-004
 cutting pot. ispin           1 iatom          11 ilm          23 rms
  1.991234982241023E-004
 cutting pot. ispin           1 iatom          11 ilm          24 rms
  1.687029082396099E-006
 cutting pot. ispin           1 iatom          11 ilm          25 rms
  1.626325847708332E-004
 cutting pot. ispin           1 iatom          11 ilm          26 rms
  1.405205780377603E-004
 cutting pot. ispin           1 iatom          11 ilm          29 rms
  2.482997560188063E-004
 cutting pot. ispin           1 iatom          11 ilm          30 rms
  3.605167361522165E-004
 cutting pot. ispin           1 iatom          11 ilm          33 rms
  1.414754134488118E-004
 cutting pot. ispin           1 iatom          11 ilm          34 rms
  1.553014482903767E-006
 cutting pot. ispin           1 iatom          11 ilm          35 rms
  3.290612833871106E-004
 cutting pot. ispin           1 iatom          11 ilm          36 rms
  2.480875942995942E-004
 cutting pot. ispin           1 iatom          11 ilm          37 rms
  4.653175896217023E-007
 cutting pot. ispin           1 iatom          11 ilm          38 rms
  1.009156204115437E-004
 cutting pot. ispin           1 iatom          11 ilm          39 rms
  2.135137506281978E-004
 cutting pot. ispin           1 iatom          11 ilm          41 rms
  3.421288925014504E-004
 cutting pot. ispin           1 iatom          11 ilm          42 rms
  2.544933645301255E-004
 cutting pot. ispin           1 iatom          11 ilm          44 rms
  4.409846238494170E-004
 cutting pot. ispin           1 iatom          11 ilm          45 rms
  1.985518773459164E-004
 cutting pot. ispin           1 iatom          11 ilm          46 rms
  3.557967231835974E-007
 cutting pot. ispin           1 iatom          11 ilm          47 rms
  1.225584458657965E-004
 cutting pot. ispin           1 iatom          11 ilm          48 rms
  1.728115006471705E-004
 cutting pot. ispin           1 iatom          12 ilm           2 rms
  3.846007759483535E-006
 cutting pot. ispin           1 iatom          12 ilm           4 rms
  2.635477335790500E-010
 cutting pot. ispin           1 iatom          12 ilm           5 rms
  2.685617655100441E-010
 cutting pot. ispin           1 iatom          12 ilm           6 rms
  4.549305293124651E-006
 cutting pot. ispin           1 iatom          12 ilm           8 rms
  7.867106153124677E-010
 cutting pot. ispin           1 iatom          12 ilm           9 rms
  1.118843367582550E-006
 cutting pot. ispin           1 iatom          12 ilm          11 rms
  7.214462903338644E-011
 cutting pot. ispin           1 iatom          12 ilm          12 rms
  8.325339339658137E-007
 cutting pot. ispin           1 iatom          12 ilm          14 rms
  1.933061874835852E-010
 cutting pot. ispin           1 iatom          12 ilm          15 rms
  1.667468613674969E-006
 cutting pot. ispin           1 iatom          12 ilm          16 rms
  2.357984624278075E-010
 cutting pot. ispin           1 iatom          12 ilm          17 rms
  2.965543225807642E-010
 cutting pot. ispin           1 iatom          12 ilm          19 rms
  1.037242442411502E-010
 cutting pot. ispin           1 iatom          12 ilm          20 rms
  8.088196598594925E-007
 cutting pot. ispin           1 iatom          12 ilm          22 rms
  1.896906511787690E-010
 cutting pot. ispin           1 iatom          12 ilm          23 rms
  9.194149327947651E-007
 cutting pot. ispin           1 iatom          12 ilm          24 rms
  3.172233795185279E-010
 cutting pot. ispin           1 iatom          12 ilm          25 rms
  3.465771949785500E-007
 cutting pot. ispin           1 iatom          12 ilm          26 rms
  7.435140507161299E-007
 cutting pot. ispin           1 iatom          12 ilm          27 rms
  9.082834513362670E-011
 cutting pot. ispin           1 iatom          12 ilm          29 rms
  4.796685604957207E-011
 cutting pot. ispin           1 iatom          12 ilm          30 rms
  8.110080984157483E-007
 cutting pot. ispin           1 iatom          12 ilm          32 rms
  6.347611345728445E-011
 cutting pot. ispin           1 iatom          12 ilm          33 rms
  2.166120954952091E-007
 cutting pot. ispin           1 iatom          12 ilm          34 rms
  8.308729861209361E-011
 cutting pot. ispin           1 iatom          12 ilm          35 rms
  1.367211331440863E-006
 cutting pot. ispin           1 iatom          12 ilm          36 rms
  8.303677460074827E-011
 cutting pot. ispin           1 iatom          12 ilm          37 rms
  1.289257696919678E-010
 cutting pot. ispin           1 iatom          12 ilm          38 rms
  6.551801361980783E-007
 cutting pot. ispin           1 iatom          12 ilm          39 rms
  8.367756506234075E-011
 cutting pot. ispin           1 iatom          12 ilm          41 rms
  6.336586220963517E-011
 cutting pot. ispin           1 iatom          12 ilm          42 rms
  4.695257867235561E-007
 cutting pot. ispin           1 iatom          12 ilm          44 rms
  8.838001990428231E-011
 cutting pot. ispin           1 iatom          12 ilm          45 rms
  1.465399295494598E-006
 cutting pot. ispin           1 iatom          12 ilm          46 rms
  5.015091763454686E-011
 cutting pot. ispin           1 iatom          12 ilm          47 rms
  1.079216356767187E-006
 cutting pot. ispin           1 iatom          12 ilm          48 rms
  9.437752668184004E-011
 cutting pot. ispin           1 iatom          13 ilm           4 rms
  4.477729869944016E-010
 cutting pot. ispin           1 iatom          13 ilm           5 rms
  2.545702288928598E-010
 cutting pot. ispin           1 iatom          13 ilm           8 rms
  4.367457700539918E-010
 cutting pot. ispin           1 iatom          13 ilm           9 rms
  1.835895024243879E-004
 cutting pot. ispin           1 iatom          13 ilm          11 rms
  1.014750427406896E-010
 cutting pot. ispin           1 iatom          13 ilm          14 rms
  8.551705361791346E-011
 cutting pot. ispin           1 iatom          13 ilm          16 rms
  8.405557491872142E-011
 cutting pot. ispin           1 iatom          13 ilm          17 rms
  1.368662782475557E-010
 cutting pot. ispin           1 iatom          13 ilm          19 rms
  5.138548845927614E-011
 cutting pot. ispin           1 iatom          13 ilm          20 rms
  2.840760588025635E-004
 cutting pot. ispin           1 iatom          13 ilm          22 rms
  1.744432192648528E-010
 cutting pot. ispin           1 iatom          13 ilm          24 rms
  6.927997134966750E-011
 cutting pot. ispin           1 iatom          13 ilm          25 rms
  1.093092685879145E-004
 cutting pot. ispin           1 iatom          13 ilm          26 rms
  3.247376433524317E-005
 cutting pot. ispin           1 iatom          13 ilm          27 rms
  1.174662181684434E-010
 cutting pot. ispin           1 iatom          13 ilm          29 rms
  1.105409163484501E-010
 cutting pot. ispin           1 iatom          13 ilm          30 rms
  1.040473356338268E-004
 cutting pot. ispin           1 iatom          13 ilm          32 rms
  8.264281445772288E-011
 cutting pot. ispin           1 iatom          13 ilm          33 rms
  2.092590535613067E-004
 cutting pot. ispin           1 iatom          13 ilm          34 rms
  7.027222945180253E-011
 cutting pot. ispin           1 iatom          13 ilm          35 rms
  9.485883565994195E-005
 cutting pot. ispin           1 iatom          13 ilm          36 rms
  9.898532820319379E-011
 cutting pot. ispin           1 iatom          13 ilm          37 rms
  1.038987637566503E-010
 cutting pot. ispin           1 iatom          13 ilm          38 rms
  5.436760737002956E-005
 cutting pot. ispin           1 iatom          13 ilm          39 rms
  6.077013135208092E-011
 cutting pot. ispin           1 iatom          13 ilm          41 rms
  3.300248666365038E-011
 cutting pot. ispin           1 iatom          13 ilm          42 rms
  7.081693963978550E-005
 cutting pot. ispin           1 iatom          13 ilm          44 rms
  7.532459233048319E-011
 cutting pot. ispin           1 iatom          13 ilm          45 rms
  1.227862367323303E-004
 cutting pot. ispin           1 iatom          13 ilm          46 rms
  5.936665172811485E-011
 cutting pot. ispin           1 iatom          13 ilm          48 rms
  9.172318132191691E-011
 cutting pot. ispin           1 iatom          14 ilm           5 rms
  1.608276877434055E-004
 cutting pot. ispin           1 iatom          14 ilm           9 rms
  9.279256466880731E-005
 cutting pot. ispin           1 iatom          14 ilm          15 rms
  9.419714844290716E-005
 cutting pot. ispin           1 iatom          14 ilm          16 rms
  2.360273792461179E-007
 cutting pot. ispin           1 iatom          14 ilm          17 rms
  9.472171988995257E-005
 cutting pot. ispin           1 iatom          14 ilm          20 rms
  1.430361664121269E-004
 cutting pot. ispin           1 iatom          14 ilm          22 rms
  2.471076942128652E-004
 cutting pot. ispin           1 iatom          14 ilm          23 rms
  1.051265141492529E-004
 cutting pot. ispin           1 iatom          14 ilm          24 rms
  1.455279204041315E-006
 cutting pot. ispin           1 iatom          14 ilm          25 rms
  5.409064372275826E-005
 cutting pot. ispin           1 iatom          14 ilm          26 rms
  1.598997801486212E-005
 cutting pot. ispin           1 iatom          14 ilm          27 rms
  8.287515732203352E-005
 cutting pot. ispin           1 iatom          14 ilm          29 rms
  1.829188165552083E-004
 cutting pot. ispin           1 iatom          14 ilm          30 rms
  5.255507565062294E-005
 cutting pot. ispin           1 iatom          14 ilm          32 rms
  9.015147576106975E-005
 cutting pot. ispin           1 iatom          14 ilm          33 rms
  1.052559419476648E-004
 cutting pot. ispin           1 iatom          14 ilm          34 rms
  5.637470503638533E-007
 cutting pot. ispin           1 iatom          14 ilm          35 rms
  4.763935357767467E-005
 cutting pot. ispin           1 iatom          14 ilm          36 rms
  2.828602935721976E-005
 cutting pot. ispin           1 iatom          14 ilm          37 rms
  3.569862596747206E-007
 cutting pot. ispin           1 iatom          14 ilm          38 rms
  2.729771482557935E-005
 cutting pot. ispin           1 iatom          14 ilm          41 rms
  1.068855707930801E-004
 cutting pot. ispin           1 iatom          14 ilm          42 rms
  3.575360047101929E-005
 cutting pot. ispin           1 iatom          14 ilm          44 rms
  6.149284058906923E-005
 cutting pot. ispin           1 iatom          14 ilm          45 rms
  6.133922080972709E-005
 cutting pot. ispin           1 iatom          14 ilm          46 rms
  4.007595826788563E-007
 cutting pot. ispin           1 iatom          14 ilm          47 rms
  5.964450959834753E-005
 cutting pot. ispin           1 iatom          14 ilm          48 rms
  4.764174807700095E-005
 cutting pot. ispin           1 iatom          15 ilm           5 rms
  1.608274210502181E-004
 cutting pot. ispin           1 iatom          15 ilm           9 rms
  9.279256211067942E-005
 cutting pot. ispin           1 iatom          15 ilm          15 rms
  9.419714313637277E-005
 cutting pot. ispin           1 iatom          15 ilm          16 rms
  2.360312397706224E-007
 cutting pot. ispin           1 iatom          15 ilm          17 rms
  9.472196035444693E-005
 cutting pot. ispin           1 iatom          15 ilm          20 rms
  1.430361570702279E-004
 cutting pot. ispin           1 iatom          15 ilm          22 rms
  2.471079971589837E-004
 cutting pot. ispin           1 iatom          15 ilm          23 rms
  1.051265066529334E-004
 cutting pot. ispin           1 iatom          15 ilm          24 rms
  1.455158242474639E-006
 cutting pot. ispin           1 iatom          15 ilm          25 rms
  5.409064315011519E-005
 cutting pot. ispin           1 iatom          15 ilm          26 rms
  1.598997940676211E-005
 cutting pot. ispin           1 iatom          15 ilm          27 rms
  8.287525360191990E-005
 cutting pot. ispin           1 iatom          15 ilm          29 rms
  1.829189647572425E-004
 cutting pot. ispin           1 iatom          15 ilm          30 rms
  5.255507109293468E-005
 cutting pot. ispin           1 iatom          15 ilm          32 rms
  9.015161302279165E-005
 cutting pot. ispin           1 iatom          15 ilm          33 rms
  1.052559370470610E-004
 cutting pot. ispin           1 iatom          15 ilm          34 rms
  5.638607027772506E-007
 cutting pot. ispin           1 iatom          15 ilm          35 rms
  4.763935119913882E-005
 cutting pot. ispin           1 iatom          15 ilm          36 rms
  2.828613770150622E-005
 cutting pot. ispin           1 iatom          15 ilm          37 rms
  3.568517341437260E-007
 cutting pot. ispin           1 iatom          15 ilm          38 rms
  2.729771399748684E-005
 cutting pot. ispin           1 iatom          15 ilm          41 rms
  1.068855879071535E-004
 cutting pot. ispin           1 iatom          15 ilm          42 rms
  3.575359848548842E-005
 cutting pot. ispin           1 iatom          15 ilm          44 rms
  6.149288215132169E-005
 cutting pot. ispin           1 iatom          15 ilm          45 rms
  6.133921867134536E-005
 cutting pot. ispin           1 iatom          15 ilm          46 rms
  4.006585163413545E-007
 cutting pot. ispin           1 iatom          15 ilm          47 rms
  5.964450411503637E-005
 cutting pot. ispin           1 iatom          15 ilm          48 rms
  4.764172232834013E-005
 cutting pot. ispin           1 iatom          16 ilm           6 rms
  8.098222190040849E-005
 cutting pot. ispin           1 iatom          16 ilm           8 rms
  1.000438208252185E-004
 cutting pot. ispin           1 iatom          16 ilm           9 rms
  1.627185363235392E-004
 cutting pot. ispin           1 iatom          16 ilm          11 rms
  2.067526931877796E-005
 cutting pot. ispin           1 iatom          16 ilm          12 rms
  2.050191113902302E-004
 cutting pot. ispin           1 iatom          16 ilm          14 rms
  5.770965046771074E-005
 cutting pot. ispin           1 iatom          16 ilm          15 rms
  7.429551063837018E-005
 cutting pot. ispin           1 iatom          16 ilm          16 rms
  1.368768310902483E-004
 cutting pot. ispin           1 iatom          16 ilm          17 rms
  2.071286150287110E-005
 cutting pot. ispin           1 iatom          16 ilm          19 rms
  5.810031489216173E-005
 cutting pot. ispin           1 iatom          16 ilm          20 rms
  4.422769240168553E-005
 cutting pot. ispin           1 iatom          16 ilm          22 rms
  1.979864444348750E-005
 cutting pot. ispin           1 iatom          16 ilm          23 rms
  6.553787734295154E-005
 cutting pot. ispin           1 iatom          16 ilm          24 rms
  9.152430425842234E-006
 cutting pot. ispin           1 iatom          16 ilm          25 rms
  9.380864165498169E-005
 cutting pot. ispin           1 iatom          16 ilm          26 rms
  7.828249231984865E-005
 cutting pot. ispin           1 iatom          16 ilm          27 rms
  4.538466672027213E-005
 cutting pot. ispin           1 iatom          16 ilm          29 rms
  1.576418144978175E-005
 cutting pot. ispin           1 iatom          16 ilm          30 rms
  1.814764100758077E-005
 cutting pot. ispin           1 iatom          16 ilm          32 rms
  3.367391276257725E-005
 cutting pot. ispin           1 iatom          16 ilm          33 rms
  5.909375204096518E-005
 cutting pot. ispin           1 iatom          16 ilm          34 rms
  3.457340907061109E-005
 cutting pot. ispin           1 iatom          16 ilm          35 rms
  1.826199656673993E-005
 cutting pot. ispin           1 iatom          16 ilm          36 rms
  2.519386373844479E-005
 cutting pot. ispin           1 iatom          16 ilm          37 rms
  5.641441817471603E-005
 cutting pot. ispin           1 iatom          16 ilm          38 rms
  2.170366487025783E-005
 cutting pot. ispin           1 iatom          16 ilm          39 rms
  3.382051332208166E-005
 cutting pot. ispin           1 iatom          16 ilm          41 rms
  4.113605867154156E-005
 cutting pot. ispin           1 iatom          16 ilm          42 rms
  2.948108979881874E-005
 cutting pot. ispin           1 iatom          16 ilm          44 rms
  1.394190624679344E-005
 cutting pot. ispin           1 iatom          16 ilm          45 rms
  1.616672581533690E-005
 cutting pot. ispin           1 iatom          16 ilm          46 rms
  1.523007352892200E-005
 cutting pot. ispin           1 iatom          16 ilm          47 rms
  2.580471987340313E-005
 cutting pot. ispin           1 iatom          16 ilm          48 rms
  4.272085795534628E-005
 cutting pot. ispin           1 iatom          17 ilm           5 rms
  1.938409392543987E-004
 cutting pot. ispin           1 iatom          17 ilm           6 rms
  9.064733815349150E-005
 cutting pot. ispin           1 iatom          17 ilm           8 rms
  8.569091599185263E-005
 cutting pot. ispin           1 iatom          17 ilm          11 rms
  6.051354758537759E-005
 cutting pot. ispin           1 iatom          17 ilm          12 rms
  1.527562820644186E-004
 cutting pot. ispin           1 iatom          17 ilm          14 rms
  1.466318480127290E-004
 cutting pot. ispin           1 iatom          17 ilm          15 rms
  4.116916695045660E-005
 cutting pot. ispin           1 iatom          17 ilm          16 rms
  1.364680936130257E-004
 cutting pot. ispin           1 iatom          17 ilm          17 rms
  7.849685621897499E-005
 cutting pot. ispin           1 iatom          17 ilm          19 rms
  7.611631574121901E-005
 cutting pot. ispin           1 iatom          17 ilm          20 rms
  1.569626830214025E-005
 cutting pot. ispin           1 iatom          17 ilm          22 rms
  4.613831066415931E-005
 cutting pot. ispin           1 iatom          17 ilm          23 rms
  3.786573142446667E-005
 cutting pot. ispin           1 iatom          17 ilm          24 rms
  9.384207080387345E-006
 cutting pot. ispin           1 iatom          17 ilm          25 rms
  5.813332630409756E-005
 cutting pot. ispin           1 iatom          17 ilm          26 rms
  3.027726922689734E-005
 cutting pot. ispin           1 iatom          17 ilm          27 rms
  2.354898390752734E-005
 cutting pot. ispin           1 iatom          17 ilm          29 rms
  4.509114785136992E-005
 cutting pot. ispin           1 iatom          17 ilm          30 rms
  2.562454713364438E-005
 cutting pot. ispin           1 iatom          17 ilm          32 rms
  3.040237060568304E-005
 cutting pot. ispin           1 iatom          17 ilm          33 rms
  4.196289950250232E-005
 cutting pot. ispin           1 iatom          17 ilm          34 rms
  3.463760082674084E-005
 cutting pot. ispin           1 iatom          17 ilm          35 rms
  4.378497466868245E-005
 cutting pot. ispin           1 iatom          17 ilm          36 rms
  8.113101580115858E-005
 cutting pot. ispin           1 iatom          17 ilm          37 rms
  5.614779986736452E-005
 cutting pot. ispin           1 iatom          17 ilm          38 rms
  3.505788215952896E-005
 cutting pot. ispin           1 iatom          17 ilm          39 rms
  2.491817938990116E-005
 cutting pot. ispin           1 iatom          17 ilm          41 rms
  1.695334887653742E-005
 cutting pot. ispin           1 iatom          17 ilm          42 rms
  2.325620482514042E-005
 cutting pot. ispin           1 iatom          17 ilm          44 rms
  2.381228312863444E-005
 cutting pot. ispin           1 iatom          17 ilm          45 rms
  4.206933018152450E-005
 cutting pot. ispin           1 iatom          17 ilm          46 rms
  1.490321730107454E-005
 cutting pot. ispin           1 iatom          17 ilm          47 rms
  3.532033002728161E-005
 cutting pot. ispin           1 iatom          17 ilm          48 rms
  3.568023978150883E-005
 cutting pot. ispin           1 iatom          18 ilm           5 rms
  1.938404467557892E-004
 cutting pot. ispin           1 iatom          18 ilm           6 rms
  9.064733282765584E-005
 cutting pot. ispin           1 iatom          18 ilm           8 rms
  8.569018511557000E-005
 cutting pot. ispin           1 iatom          18 ilm          11 rms
  6.051362627894749E-005
 cutting pot. ispin           1 iatom          18 ilm          12 rms
  1.527562594272102E-004
 cutting pot. ispin           1 iatom          18 ilm          14 rms
  1.466319430645461E-004
 cutting pot. ispin           1 iatom          18 ilm          15 rms
  4.116916536136363E-005
 cutting pot. ispin           1 iatom          18 ilm          16 rms
  1.364679196837509E-004
 cutting pot. ispin           1 iatom          18 ilm          17 rms
  7.849657148216942E-005
 cutting pot. ispin           1 iatom          18 ilm          19 rms
  7.611640687744604E-005
 cutting pot. ispin           1 iatom          18 ilm          20 rms
  1.569626656836595E-005
 cutting pot. ispin           1 iatom          18 ilm          22 rms
  4.613799395723043E-005
 cutting pot. ispin           1 iatom          18 ilm          23 rms
  3.786572279484214E-005
 cutting pot. ispin           1 iatom          18 ilm          24 rms
  9.384319098556952E-006
 cutting pot. ispin           1 iatom          18 ilm          25 rms
  5.813331878004539E-005
 cutting pot. ispin           1 iatom          18 ilm          26 rms
  3.027726803491943E-005
 cutting pot. ispin           1 iatom          18 ilm          27 rms
  2.354909821420822E-005
 cutting pot. ispin           1 iatom          18 ilm          29 rms
  4.509093423432018E-005
 cutting pot. ispin           1 iatom          18 ilm          30 rms
  2.562454419336670E-005
 cutting pot. ispin           1 iatom          18 ilm          32 rms
  3.040225336844946E-005
 cutting pot. ispin           1 iatom          18 ilm          33 rms
  4.196289627023564E-005
 cutting pot. ispin           1 iatom          18 ilm          34 rms
  3.463773828701903E-005
 cutting pot. ispin           1 iatom          18 ilm          35 rms
  4.378497053028366E-005
 cutting pot. ispin           1 iatom          18 ilm          36 rms
  8.113080768566595E-005
 cutting pot. ispin           1 iatom          18 ilm          37 rms
  5.614761095817760E-005
 cutting pot. ispin           1 iatom          18 ilm          38 rms
  3.505787765421485E-005
 cutting pot. ispin           1 iatom          18 ilm          39 rms
  2.491818998587583E-005
 cutting pot. ispin           1 iatom          18 ilm          41 rms
  1.695327567585455E-005
 cutting pot. ispin           1 iatom          18 ilm          42 rms
  2.325620369427753E-005
 cutting pot. ispin           1 iatom          18 ilm          44 rms
  2.381221495052570E-005
 cutting pot. ispin           1 iatom          18 ilm          45 rms
  4.206932789879749E-005
 cutting pot. ispin           1 iatom          18 ilm          46 rms
  1.490311091464711E-005
 cutting pot. ispin           1 iatom          18 ilm          47 rms
  3.532032437522159E-005
 cutting pot. ispin           1 iatom          18 ilm          48 rms
  3.568008094561214E-005
 cutting pot. ispin           1 iatom          19 ilm           6 rms
  8.098222194044984E-005
 cutting pot. ispin           1 iatom          19 ilm           8 rms
  1.000431887974049E-004
 cutting pot. ispin           1 iatom          19 ilm           9 rms
  1.627185269630125E-004
 cutting pot. ispin           1 iatom          19 ilm          11 rms
  2.067533821951122E-005
 cutting pot. ispin           1 iatom          19 ilm          12 rms
  2.050191116802479E-004
 cutting pot. ispin           1 iatom          19 ilm          14 rms
  5.770953844679446E-005
 cutting pot. ispin           1 iatom          19 ilm          15 rms
  7.429551353781513E-005
 cutting pot. ispin           1 iatom          19 ilm          16 rms
  1.368769657151528E-004
 cutting pot. ispin           1 iatom          19 ilm          17 rms
  2.071296154695787E-005
 cutting pot. ispin           1 iatom          19 ilm          19 rms
  5.810042658045650E-005
 cutting pot. ispin           1 iatom          19 ilm          20 rms
  4.422768918959451E-005
 cutting pot. ispin           1 iatom          19 ilm          22 rms
  1.979833070297005E-005
 cutting pot. ispin           1 iatom          19 ilm          23 rms
  6.553788036246550E-005
 cutting pot. ispin           1 iatom          19 ilm          24 rms
  9.152327096615738E-006
 cutting pot. ispin           1 iatom          19 ilm          25 rms
  9.380862609640197E-005
 cutting pot. ispin           1 iatom          19 ilm          26 rms
  7.828248052142793E-005
 cutting pot. ispin           1 iatom          19 ilm          27 rms
  4.538483982082291E-005
 cutting pot. ispin           1 iatom          19 ilm          29 rms
  1.576432195395734E-005
 cutting pot. ispin           1 iatom          19 ilm          30 rms
  1.814764032264783E-005
 cutting pot. ispin           1 iatom          19 ilm          32 rms
  3.367380858342464E-005
 cutting pot. ispin           1 iatom          19 ilm          33 rms
  5.909374597935027E-005
 cutting pot. ispin           1 iatom          19 ilm          34 rms
  3.457326947321091E-005
 cutting pot. ispin           1 iatom          19 ilm          35 rms
  1.826199431940554E-005
 cutting pot. ispin           1 iatom          19 ilm          36 rms
  2.519375505763198E-005
 cutting pot. ispin           1 iatom          19 ilm          37 rms
  5.641458691967894E-005
 cutting pot. ispin           1 iatom          19 ilm          38 rms
  2.170366303131042E-005
 cutting pot. ispin           1 iatom          19 ilm          39 rms
  3.382057709657324E-005
 cutting pot. ispin           1 iatom          19 ilm          41 rms
  4.113598933185452E-005
 cutting pot. ispin           1 iatom          19 ilm          42 rms
  2.948108701975775E-005
 cutting pot. ispin           1 iatom          19 ilm          44 rms
  1.394201291120338E-005
 cutting pot. ispin           1 iatom          19 ilm          45 rms
  1.616672395473376E-005
 cutting pot. ispin           1 iatom          19 ilm          46 rms
  1.523017473512064E-005
 cutting pot. ispin           1 iatom          19 ilm          47 rms
  2.580471899222975E-005
 cutting pot. ispin           1 iatom          19 ilm          48 rms
  4.272070374541821E-005
 cutting pot. ispin           1 iatom          20 ilm           2 rms
  2.050069775574767E-004
 cutting pot. ispin           1 iatom          20 ilm           5 rms
  1.247245789483797E-004
 cutting pot. ispin           1 iatom          20 ilm           6 rms
  9.874192405918220E-005
 cutting pot. ispin           1 iatom          20 ilm           8 rms
  7.984768047208640E-005
 cutting pot. ispin           1 iatom          20 ilm          11 rms
  6.356072187807859E-005
 cutting pot. ispin           1 iatom          20 ilm          12 rms
  5.973711928651924E-005
 cutting pot. ispin           1 iatom          20 ilm          14 rms
  2.104683412568143E-004
 cutting pot. ispin           1 iatom          20 ilm          15 rms
  3.992061980440519E-005
 cutting pot. ispin           1 iatom          20 ilm          16 rms
  1.372000817491665E-004
 cutting pot. ispin           1 iatom          20 ilm          17 rms
  8.527994024329534E-005
 cutting pot. ispin           1 iatom          20 ilm          19 rms
  4.418856168790372E-005
 cutting pot. ispin           1 iatom          20 ilm          20 rms
  3.546133250687438E-005
 cutting pot. ispin           1 iatom          20 ilm          22 rms
  2.991202594323540E-005
 cutting pot. ispin           1 iatom          20 ilm          23 rms
  8.012862380057878E-005
 cutting pot. ispin           1 iatom          20 ilm          24 rms
  9.407989692300398E-006
 cutting pot. ispin           1 iatom          20 ilm          25 rms
  3.849752728016591E-005
 cutting pot. ispin           1 iatom          20 ilm          26 rms
  5.439737415497573E-005
 cutting pot. ispin           1 iatom          20 ilm          27 rms
  3.130804520546449E-005
 cutting pot. ispin           1 iatom          20 ilm          29 rms
  5.627201239819574E-005
 cutting pot. ispin           1 iatom          20 ilm          30 rms
  3.596931600964099E-005
 cutting pot. ispin           1 iatom          20 ilm          32 rms
  1.642506380211517E-005
 cutting pot. ispin           1 iatom          20 ilm          33 rms
  1.870728113399736E-005
 cutting pot. ispin           1 iatom          20 ilm          34 rms
  3.546090985812443E-005
 cutting pot. ispin           1 iatom          20 ilm          35 rms
  4.122674617993262E-005
 cutting pot. ispin           1 iatom          20 ilm          36 rms
  5.625638396421401E-005
 cutting pot. ispin           1 iatom          20 ilm          37 rms
  5.619592784620810E-005
 cutting pot. ispin           1 iatom          20 ilm          38 rms
  4.222883845455283E-005
 cutting pot. ispin           1 iatom          20 ilm          39 rms
  3.168117908498179E-005
 cutting pot. ispin           1 iatom          20 ilm          41 rms
  3.247346921486310E-005
 cutting pot. ispin           1 iatom          20 ilm          42 rms
  1.390584555253162E-005
 cutting pot. ispin           1 iatom          20 ilm          44 rms
  2.826176950123406E-005
 cutting pot. ispin           1 iatom          20 ilm          45 rms
  3.266892533952957E-005
 cutting pot. ispin           1 iatom          20 ilm          46 rms
  1.509618341361045E-005
 cutting pot. ispin           1 iatom          20 ilm          47 rms
  3.156032530918850E-005
 cutting pot. ispin           1 iatom          20 ilm          48 rms
  2.466373491513622E-005
 cutting pot. ispin           1 iatom          21 ilm           2 rms
  2.050070385504974E-004
 cutting pot. ispin           1 iatom          21 ilm           5 rms
  1.247242349082785E-004
 cutting pot. ispin           1 iatom          21 ilm           6 rms
  9.874191643606828E-005
 cutting pot. ispin           1 iatom          21 ilm           8 rms
  7.984771087220089E-005
 cutting pot. ispin           1 iatom          21 ilm          11 rms
  6.356077737885047E-005
 cutting pot. ispin           1 iatom          21 ilm          12 rms
  5.973712546667978E-005
 cutting pot. ispin           1 iatom          21 ilm          14 rms
  2.104684307888618E-004
 cutting pot. ispin           1 iatom          21 ilm          15 rms
  3.992062459128873E-005
 cutting pot. ispin           1 iatom          21 ilm          16 rms
  1.372002291119077E-004
 cutting pot. ispin           1 iatom          21 ilm          17 rms
  8.527968415035037E-005
 cutting pot. ispin           1 iatom          21 ilm          19 rms
  4.418857544730004E-005
 cutting pot. ispin           1 iatom          21 ilm          20 rms
  3.546133178367832E-005
 cutting pot. ispin           1 iatom          21 ilm          22 rms
  2.991180702874865E-005
 cutting pot. ispin           1 iatom          21 ilm          23 rms
  8.012863052235921E-005
 cutting pot. ispin           1 iatom          21 ilm          24 rms
  9.407884097373820E-006
 cutting pot. ispin           1 iatom          21 ilm          25 rms
  3.849751746524587E-005
 cutting pot. ispin           1 iatom          21 ilm          26 rms
  5.439737273943070E-005
 cutting pot. ispin           1 iatom          21 ilm          27 rms
  3.130786951929922E-005
 cutting pot. ispin           1 iatom          21 ilm          29 rms
  5.627181642606321E-005
 cutting pot. ispin           1 iatom          21 ilm          30 rms
  3.596932129523477E-005
 cutting pot. ispin           1 iatom          21 ilm          32 rms
  1.642509013373944E-005
 cutting pot. ispin           1 iatom          21 ilm          33 rms
  1.870727894628498E-005
 cutting pot. ispin           1 iatom          21 ilm          34 rms
  3.546077497705011E-005
 cutting pot. ispin           1 iatom          21 ilm          35 rms
  4.122675387181049E-005
 cutting pot. ispin           1 iatom          21 ilm          36 rms
  5.625618474416299E-005
 cutting pot. ispin           1 iatom          21 ilm          37 rms
  5.619610355290302E-005
 cutting pot. ispin           1 iatom          21 ilm          38 rms
  4.222884067082348E-005
 cutting pot. ispin           1 iatom          21 ilm          39 rms
  3.168111670935404E-005
 cutting pot. ispin           1 iatom          21 ilm          41 rms
  3.247352484670648E-005
 cutting pot. ispin           1 iatom          21 ilm          42 rms
  1.390584571737245E-005
 cutting pot. ispin           1 iatom          21 ilm          44 rms
  2.826167328721927E-005
 cutting pot. ispin           1 iatom          21 ilm          45 rms
  3.266892700548768E-005
 cutting pot. ispin           1 iatom          21 ilm          46 rms
  1.509628524806271E-005
 cutting pot. ispin           1 iatom          21 ilm          47 rms
  3.156032846203744E-005
 cutting pot. ispin           1 iatom          21 ilm          48 rms
  2.466381637023592E-005
 cutting pot. ispin           1 iatom          22 ilm           4 rms
  8.303389858847032E-011
 cutting pot. ispin           1 iatom          22 ilm           5 rms
  3.307370564917855E-010
 cutting pot. ispin           1 iatom          22 ilm           8 rms
  5.738129341072395E-010
 cutting pot. ispin           1 iatom          22 ilm           9 rms
  1.684789094521915E-004
 cutting pot. ispin           1 iatom          22 ilm          10 rms
  6.984726951391194E-005
 cutting pot. ispin           1 iatom          22 ilm          11 rms
  8.660934402710437E-012
 cutting pot. ispin           1 iatom          22 ilm          12 rms
  2.157874491764660E-004
 cutting pot. ispin           1 iatom          22 ilm          14 rms
  7.496434246805280E-012
 cutting pot. ispin           1 iatom          22 ilm          15 rms
  1.176161417703332E-004
 cutting pot. ispin           1 iatom          22 ilm          16 rms
  3.363876197804922E-012
 cutting pot. ispin           1 iatom          22 ilm          17 rms
  1.193078382486078E-010
 cutting pot. ispin           1 iatom          22 ilm          19 rms
  4.473051866726651E-011
 cutting pot. ispin           1 iatom          22 ilm          20 rms
  1.663917634115171E-004
 cutting pot. ispin           1 iatom          22 ilm          22 rms
  2.393279913944562E-010
 cutting pot. ispin           1 iatom          22 ilm          23 rms
  7.492018236326271E-005
 cutting pot. ispin           1 iatom          22 ilm          24 rms
  8.221418628476326E-011
 cutting pot. ispin           1 iatom          22 ilm          25 rms
  2.559360578811899E-005
 cutting pot. ispin           1 iatom          22 ilm          26 rms
  2.569726728277235E-005
 cutting pot. ispin           1 iatom          22 ilm          27 rms
  2.233514253651239E-011
 cutting pot. ispin           1 iatom          22 ilm          28 rms
  2.243060284573451E-005
 cutting pot. ispin           1 iatom          22 ilm          29 rms
  2.199160318483181E-011
 cutting pot. ispin           1 iatom          22 ilm          30 rms
  1.412431592562923E-004
 cutting pot. ispin           1 iatom          22 ilm          31 rms
  1.936340822397472E-005
 cutting pot. ispin           1 iatom          22 ilm          32 rms
  2.898319619370971E-012
 cutting pot. ispin           1 iatom          22 ilm          33 rms
  7.880334959039882E-005
 cutting pot. ispin           1 iatom          22 ilm          34 rms
  6.683095501967794E-013
 cutting pot. ispin           1 iatom          22 ilm          35 rms
  3.920130130418803E-005
 cutting pot. ispin           1 iatom          22 ilm          36 rms
  9.191296988422234E-012
 cutting pot. ispin           1 iatom          22 ilm          37 rms
  5.672955455906405E-011
 cutting pot. ispin           1 iatom          22 ilm          38 rms
  3.660792387573417E-005
 cutting pot. ispin           1 iatom          22 ilm          39 rms
  1.549837815960320E-010
 cutting pot. ispin           1 iatom          22 ilm          41 rms
  1.252626865917085E-010
 cutting pot. ispin           1 iatom          22 ilm          42 rms
  7.771491255611251E-005
 cutting pot. ispin           1 iatom          22 ilm          44 rms
  1.405058547552298E-010
 cutting pot. ispin           1 iatom          22 ilm          45 rms
  6.642102011865790E-005
 cutting pot. ispin           1 iatom          22 ilm          46 rms
  9.208013601417813E-011
 cutting pot. ispin           1 iatom          22 ilm          47 rms
  1.955796517768409E-005
 cutting pot. ispin           1 iatom          22 ilm          48 rms
  1.415184983332605E-010
 cutting pot. ispin           1 iatom          23 ilm           5 rms
  1.428209059306364E-004
 cutting pot. ispin           1 iatom          23 ilm           6 rms
  8.392508160710192E-005
 cutting pot. ispin           1 iatom          23 ilm           8 rms
  1.519827610514928E-004
 cutting pot. ispin           1 iatom          23 ilm           9 rms
  8.285875447950845E-005
 cutting pot. ispin           1 iatom          23 ilm          10 rms
  7.071618176919913E-005
 cutting pot. ispin           1 iatom          23 ilm          11 rms
  1.020763283047401E-004
 cutting pot. ispin           1 iatom          23 ilm          12 rms
  1.056783776661041E-004
 cutting pot. ispin           1 iatom          23 ilm          14 rms
  1.888724312684011E-004
 cutting pot. ispin           1 iatom          23 ilm          15 rms
  5.970474440710500E-005
 cutting pot. ispin           1 iatom          23 ilm          16 rms
  1.662642064035659E-007
 cutting pot. ispin           1 iatom          23 ilm          17 rms
  2.283441595490761E-005
 cutting pot. ispin           1 iatom          23 ilm          19 rms
  6.208455438409683E-005
 cutting pot. ispin           1 iatom          23 ilm          20 rms
  8.567855865551675E-005
 cutting pot. ispin           1 iatom          23 ilm          22 rms
  1.525015166742007E-004
 cutting pot. ispin           1 iatom          23 ilm          23 rms
  3.616210413933333E-005
 cutting pot. ispin           1 iatom          23 ilm          24 rms
  1.465690434817028E-007
 cutting pot. ispin           1 iatom          23 ilm          25 rms
  1.292646026632301E-005
 cutting pot. ispin           1 iatom          23 ilm          26 rms
  1.303014150220543E-005
 cutting pot. ispin           1 iatom          23 ilm          27 rms
  3.541902410717846E-005
 cutting pot. ispin           1 iatom          23 ilm          28 rms
  2.257308301615445E-005
 cutting pot. ispin           1 iatom          23 ilm          29 rms
  6.917443033588934E-005
 cutting pot. ispin           1 iatom          23 ilm          30 rms
  6.928584415089667E-005
 cutting pot. ispin           1 iatom          23 ilm          31 rms
  1.947997609067868E-005
 cutting pot. ispin           1 iatom          23 ilm          32 rms
  1.230070558000702E-004
 cutting pot. ispin           1 iatom          23 ilm          33 rms
  3.974992722884792E-005
 cutting pot. ispin           1 iatom          23 ilm          34 rms
  2.194111285770745E-008
 cutting pot. ispin           1 iatom          23 ilm          35 rms
  1.957917215821281E-005
 cutting pot. ispin           1 iatom          23 ilm          36 rms
  2.283034186869165E-005
 cutting pot. ispin           1 iatom          23 ilm          37 rms
  4.830701269833234E-008
 cutting pot. ispin           1 iatom          23 ilm          38 rms
  1.844352643964062E-005
 cutting pot. ispin           1 iatom          23 ilm          39 rms
  2.121268504679374E-005
 cutting pot. ispin           1 iatom          23 ilm          41 rms
  5.972064606478254E-005
 cutting pot. ispin           1 iatom          23 ilm          42 rms
  3.939629635819202E-005
 cutting pot. ispin           1 iatom          23 ilm          44 rms
  7.015333364244760E-005
 cutting pot. ispin           1 iatom          23 ilm          45 rms
  3.435628186191793E-005
 cutting pot. ispin           1 iatom          23 ilm          46 rms
  3.120856297218137E-008
 cutting pot. ispin           1 iatom          23 ilm          47 rms
  1.170906349135268E-005
 cutting pot. ispin           1 iatom          23 ilm          48 rms
  3.210373015013001E-005
 cutting pot. ispin           1 iatom          24 ilm           5 rms
  1.428202776462028E-004
 cutting pot. ispin           1 iatom          24 ilm           6 rms
  8.392506140534186E-005
 cutting pot. ispin           1 iatom          24 ilm           8 rms
  1.519816248778165E-004
 cutting pot. ispin           1 iatom          24 ilm           9 rms
  8.285875961499879E-005
 cutting pot. ispin           1 iatom          24 ilm          10 rms
  7.071618382699236E-005
 cutting pot. ispin           1 iatom          24 ilm          11 rms
  1.020763520630865E-004
 cutting pot. ispin           1 iatom          24 ilm          12 rms
  1.056783664805976E-004
 cutting pot. ispin           1 iatom          24 ilm          14 rms
  1.888724202430122E-004
 cutting pot. ispin           1 iatom          24 ilm          15 rms
  5.970475591969825E-005
 cutting pot. ispin           1 iatom          24 ilm          16 rms
  1.662682013233983E-007
 cutting pot. ispin           1 iatom          24 ilm          17 rms
  2.283422354953405E-005
 cutting pot. ispin           1 iatom          24 ilm          19 rms
  6.208456265314425E-005
 cutting pot. ispin           1 iatom          24 ilm          20 rms
  8.567855365668571E-005
 cutting pot. ispin           1 iatom          24 ilm          22 rms
  1.525010429008013E-004
 cutting pot. ispin           1 iatom          24 ilm          23 rms
  3.616210724151186E-005
 cutting pot. ispin           1 iatom          24 ilm          24 rms
  1.466810643338313E-007
 cutting pot. ispin           1 iatom          24 ilm          25 rms
  1.292645724879889E-005
 cutting pot. ispin           1 iatom          24 ilm          26 rms
  1.303013990285163E-005
 cutting pot. ispin           1 iatom          24 ilm          27 rms
  3.541903787494035E-005
 cutting pot. ispin           1 iatom          24 ilm          28 rms
  2.257308276201399E-005
 cutting pot. ispin           1 iatom          24 ilm          29 rms
  6.917445941924290E-005
 cutting pot. ispin           1 iatom          24 ilm          30 rms
  6.928584191644835E-005
 cutting pot. ispin           1 iatom          24 ilm          31 rms
  1.947997411315466E-005
 cutting pot. ispin           1 iatom          24 ilm          32 rms
  1.230070556706724E-004
 cutting pot. ispin           1 iatom          24 ilm          33 rms
  3.974992279687052E-005
 cutting pot. ispin           1 iatom          24 ilm          34 rms
  2.194069879062621E-008
 cutting pot. ispin           1 iatom          24 ilm          35 rms
  1.957916108996928E-005
 cutting pot. ispin           1 iatom          24 ilm          36 rms
  2.283035251957054E-005
 cutting pot. ispin           1 iatom          24 ilm          37 rms
  4.830920238698374E-008
 cutting pot. ispin           1 iatom          24 ilm          38 rms
  1.844352730376287E-005
 cutting pot. ispin           1 iatom          24 ilm          39 rms
  2.121238209895135E-005
 cutting pot. ispin           1 iatom          24 ilm          41 rms
  5.972039642320072E-005
 cutting pot. ispin           1 iatom          24 ilm          42 rms
  3.939629290492217E-005
 cutting pot. ispin           1 iatom          24 ilm          44 rms
  7.015333237277155E-005
 cutting pot. ispin           1 iatom          24 ilm          45 rms
  3.435627935627103E-005
 cutting pot. ispin           1 iatom          24 ilm          46 rms
  3.107317775337087E-008
 cutting pot. ispin           1 iatom          24 ilm          47 rms
  1.170906037355139E-005
 cutting pot. ispin           1 iatom          24 ilm          48 rms
  3.210345066680130E-005
 cutting pot. ispin           2 iatom           1 ilm           2 rms
  9.454891887072742E-006
 cutting pot. ispin           2 iatom           1 ilm           4 rms
  4.862490386832342E-010
 cutting pot. ispin           2 iatom           1 ilm           5 rms
  1.909677240487746E-010
 cutting pot. ispin           2 iatom           1 ilm           6 rms
  1.399765984955094E-006
 cutting pot. ispin           2 iatom           1 ilm           8 rms
  4.189109283471783E-010
 cutting pot. ispin           2 iatom           1 ilm           9 rms
  1.790980471505888E-006
 cutting pot. ispin           2 iatom           1 ilm          11 rms
  8.639466661865668E-011
 cutting pot. ispin           2 iatom           1 ilm          12 rms
  6.572482654028294E-006
 cutting pot. ispin           2 iatom           1 ilm          14 rms
  1.094819348657885E-010
 cutting pot. ispin           2 iatom           1 ilm          15 rms
  2.496188490942496E-006
 cutting pot. ispin           2 iatom           1 ilm          16 rms
  7.722201143006525E-011
 cutting pot. ispin           2 iatom           1 ilm          17 rms
  1.547973120951553E-010
 cutting pot. ispin           2 iatom           1 ilm          19 rms
  6.226286317015559E-011
 cutting pot. ispin           2 iatom           1 ilm          20 rms
  1.549385609563792E-006
 cutting pot. ispin           2 iatom           1 ilm          22 rms
  1.814428911809351E-010
 cutting pot. ispin           2 iatom           1 ilm          23 rms
  3.282151987559634E-006
 cutting pot. ispin           2 iatom           1 ilm          24 rms
  8.001040864512305E-011
 cutting pot. ispin           2 iatom           1 ilm          25 rms
  4.620392798762264E-006
 cutting pot. ispin           2 iatom           1 ilm          26 rms
  8.644019419272284E-007
 cutting pot. ispin           2 iatom           1 ilm          27 rms
  1.363789882622387E-010
 cutting pot. ispin           2 iatom           1 ilm          29 rms
  1.174535415848151E-010
 cutting pot. ispin           2 iatom           1 ilm          30 rms
  1.106840033358179E-006
 cutting pot. ispin           2 iatom           1 ilm          32 rms
  7.725152684016770E-011
 cutting pot. ispin           2 iatom           1 ilm          33 rms
  6.958537189960235E-007
 cutting pot. ispin           2 iatom           1 ilm          34 rms
  7.487545690636118E-011
 cutting pot. ispin           2 iatom           1 ilm          35 rms
  1.056900148004696E-006
 cutting pot. ispin           2 iatom           1 ilm          36 rms
  1.028454757094534E-010
 cutting pot. ispin           2 iatom           1 ilm          37 rms
  1.080404785201396E-010
 cutting pot. ispin           2 iatom           1 ilm          38 rms
  4.708900877111322E-007
 cutting pot. ispin           2 iatom           1 ilm          39 rms
  8.099211561678091E-011
 cutting pot. ispin           2 iatom           1 ilm          41 rms
  3.502954705171519E-011
 cutting pot. ispin           2 iatom           1 ilm          42 rms
  8.932840104584964E-007
 cutting pot. ispin           2 iatom           1 ilm          44 rms
  7.010491370279898E-011
 cutting pot. ispin           2 iatom           1 ilm          45 rms
  6.761355392921973E-007
 cutting pot. ispin           2 iatom           1 ilm          46 rms
  6.735019465577923E-011
 cutting pot. ispin           2 iatom           1 ilm          47 rms
  5.425636928413132E-007
 cutting pot. ispin           2 iatom           1 ilm          48 rms
  7.759120719606511E-011
 cutting pot. ispin           2 iatom           2 ilm           4 rms
  1.696444138372679E-010
 cutting pot. ispin           2 iatom           2 ilm           5 rms
  4.024466018369415E-010
 cutting pot. ispin           2 iatom           2 ilm           8 rms
  8.145519212713666E-010
 cutting pot. ispin           2 iatom           2 ilm          11 rms
  8.302014103663308E-011
 cutting pot. ispin           2 iatom           2 ilm          14 rms
  1.898232812072603E-010
 cutting pot. ispin           2 iatom           2 ilm          16 rms
  1.837334024809317E-010
 cutting pot. ispin           2 iatom           2 ilm          17 rms
  2.747624449183990E-010
 cutting pot. ispin           2 iatom           2 ilm          19 rms
  1.233727152654120E-010
 cutting pot. ispin           2 iatom           2 ilm          22 rms
  1.983646056322592E-010
 cutting pot. ispin           2 iatom           2 ilm          24 rms
  3.101324230545978E-010
 cutting pot. ispin           2 iatom           2 ilm          27 rms
  9.613991865981726E-011
 cutting pot. ispin           2 iatom           2 ilm          29 rms
  5.650143196200534E-011
 cutting pot. ispin           2 iatom           2 ilm          30 rms
  4.075718485444168E-004
 cutting pot. ispin           2 iatom           2 ilm          32 rms
  5.210155069144446E-011
 cutting pot. ispin           2 iatom           2 ilm          34 rms
  7.286951767534070E-011
 cutting pot. ispin           2 iatom           2 ilm          36 rms
  8.112704261981429E-011
 cutting pot. ispin           2 iatom           2 ilm          37 rms
  1.136935674037125E-010
 cutting pot. ispin           2 iatom           2 ilm          38 rms
  6.069701151707765E-004
 cutting pot. ispin           2 iatom           2 ilm          39 rms
  9.112249204871200E-011
 cutting pot. ispin           2 iatom           2 ilm          41 rms
  1.102667747299798E-010
 cutting pot. ispin           2 iatom           2 ilm          44 rms
  1.101935243852712E-010
 cutting pot. ispin           2 iatom           2 ilm          45 rms
  3.928501346081102E-004
 cutting pot. ispin           2 iatom           2 ilm          46 rms
  4.780715367218869E-011
 cutting pot. ispin           2 iatom           2 ilm          48 rms
  1.228597465276345E-010
 cutting pot. ispin           2 iatom           3 ilm           6 rms
  3.230001322040147E-004
 cutting pot. ispin           2 iatom           3 ilm          16 rms
  2.915378448501430E-006
 cutting pot. ispin           2 iatom           3 ilm          20 rms
  2.932884191409952E-004
 cutting pot. ispin           2 iatom           3 ilm          22 rms
  5.100355236644056E-004
 cutting pot. ispin           2 iatom           3 ilm          24 rms
  3.448162732738055E-007
 cutting pot. ispin           2 iatom           3 ilm          26 rms
  5.604371150964931E-004
 cutting pot. ispin           2 iatom           3 ilm          30 rms
  2.025326701767117E-004
 cutting pot. ispin           2 iatom           3 ilm          32 rms
  3.518076895451056E-004
 cutting pot. ispin           2 iatom           3 ilm          33 rms
  3.759339787429172E-004
 cutting pot. ispin           2 iatom           3 ilm          34 rms
  2.970762189922618E-007
 cutting pot. ispin           2 iatom           3 ilm          37 rms
  6.462263601036860E-007
 cutting pot. ispin           2 iatom           3 ilm          38 rms
  3.039143796488466E-004
 cutting pot. ispin           2 iatom           3 ilm          41 rms
  3.411195215823718E-004
 cutting pot. ispin           2 iatom           3 ilm          42 rms
  3.260056121858117E-004
 cutting pot. ispin           2 iatom           3 ilm          45 rms
  1.950952103606491E-004
 cutting pot. ispin           2 iatom           3 ilm          46 rms
  2.456595613659833E-007
 cutting pot. ispin           2 iatom           3 ilm          47 rms
  3.315983267156545E-004
 cutting pot. ispin           2 iatom           3 ilm          48 rms
  5.258331861563683E-004
 cutting pot. ispin           2 iatom           4 ilm           6 rms
  3.230001183356385E-004
 cutting pot. ispin           2 iatom           4 ilm          16 rms
  2.914936976191705E-006
 cutting pot. ispin           2 iatom           4 ilm          20 rms
  2.932884125428257E-004
 cutting pot. ispin           2 iatom           4 ilm          22 rms
  5.100356242415027E-004
 cutting pot. ispin           2 iatom           4 ilm          24 rms
  3.442489081650235E-007
 cutting pot. ispin           2 iatom           4 ilm          26 rms
  5.604370990769999E-004
 cutting pot. ispin           2 iatom           4 ilm          30 rms
  2.025326654472151E-004
 cutting pot. ispin           2 iatom           4 ilm          32 rms
  3.518076742038371E-004
 cutting pot. ispin           2 iatom           4 ilm          33 rms
  3.759339631176175E-004
 cutting pot. ispin           2 iatom           4 ilm          34 rms
  2.971220556872316E-007
 cutting pot. ispin           2 iatom           4 ilm          37 rms
  6.461325107489681E-007
 cutting pot. ispin           2 iatom           4 ilm          38 rms
  3.039143795146493E-004
 cutting pot. ispin           2 iatom           4 ilm          41 rms
  3.411195863976623E-004
 cutting pot. ispin           2 iatom           4 ilm          42 rms
  3.260055981375602E-004
 cutting pot. ispin           2 iatom           4 ilm          45 rms
  1.950952004621513E-004
 cutting pot. ispin           2 iatom           4 ilm          46 rms
  2.456304524947988E-007
 cutting pot. ispin           2 iatom           4 ilm          47 rms
  3.315983058726529E-004
 cutting pot. ispin           2 iatom           4 ilm          48 rms
  5.258333176792320E-004
 cutting pot. ispin           2 iatom           5 ilm           4 rms
  7.611965070116105E-011
 cutting pot. ispin           2 iatom           5 ilm           5 rms
  2.868221385406318E-010
 cutting pot. ispin           2 iatom           5 ilm           8 rms
  8.721576218683914E-010
 cutting pot. ispin           2 iatom           5 ilm          10 rms
  6.664397957679203E-004
 cutting pot. ispin           2 iatom           5 ilm          11 rms
  1.724007249257284E-011
 cutting pot. ispin           2 iatom           5 ilm          13 rms
  7.674489538299660E-004
 cutting pot. ispin           2 iatom           5 ilm          14 rms
  1.000564175336728E-011
 cutting pot. ispin           2 iatom           5 ilm          16 rms
  4.839291459983351E-011
 cutting pot. ispin           2 iatom           5 ilm          17 rms
  1.380378611763557E-010
 cutting pot. ispin           2 iatom           5 ilm          19 rms
  9.787751238257225E-011
 cutting pot. ispin           2 iatom           5 ilm          20 rms
  5.544719481949054E-004
 cutting pot. ispin           2 iatom           5 ilm          22 rms
  1.476394983724146E-010
 cutting pot. ispin           2 iatom           5 ilm          23 rms
  3.879420138948539E-004
 cutting pot. ispin           2 iatom           5 ilm          24 rms
  3.357524489514655E-010
 cutting pot. ispin           2 iatom           5 ilm          25 rms
  4.818493522493672E-004
 cutting pot. ispin           2 iatom           5 ilm          27 rms
  1.138601430353308E-011
 cutting pot. ispin           2 iatom           5 ilm          28 rms
  5.071702886965754E-004
 cutting pot. ispin           2 iatom           5 ilm          29 rms
  2.944841664011981E-012
 cutting pot. ispin           2 iatom           5 ilm          31 rms
  1.986509555619374E-004
 cutting pot. ispin           2 iatom           5 ilm          32 rms
  1.081183076948127E-011
 cutting pot. ispin           2 iatom           5 ilm          34 rms
  1.042118995887322E-011
 cutting pot. ispin           2 iatom           5 ilm          36 rms
  1.162938502609573E-011
 cutting pot. ispin           2 iatom           5 ilm          37 rms
  6.264161669025988E-011
 cutting pot. ispin           2 iatom           5 ilm          39 rms
  1.381346581895307E-010
 cutting pot. ispin           2 iatom           5 ilm          41 rms
  7.990357060714335E-011
 cutting pot. ispin           2 iatom           5 ilm          42 rms
  2.295074411304985E-004
 cutting pot. ispin           2 iatom           5 ilm          44 rms
  7.711228602230874E-011
 cutting pot. ispin           2 iatom           5 ilm          45 rms
  5.376366480972528E-004
 cutting pot. ispin           2 iatom           5 ilm          46 rms
  3.927691155972520E-011
 cutting pot. ispin           2 iatom           5 ilm          47 rms
  5.473717637378792E-004
 cutting pot. ispin           2 iatom           5 ilm          48 rms
  1.648711580289868E-010
 cutting pot. ispin           2 iatom           6 ilm          10 rms
  6.661388445398180E-004
 cutting pot. ispin           2 iatom           6 ilm          12 rms
  3.992208214679226E-004
 cutting pot. ispin           2 iatom           6 ilm          13 rms
  7.689567654905745E-004
 cutting pot. ispin           2 iatom           6 ilm          15 rms
  5.895692565344435E-004
 cutting pot. ispin           2 iatom           6 ilm          16 rms
  7.307942886296267E-006
 cutting pot. ispin           2 iatom           6 ilm          17 rms
  4.164205186641974E-004
 cutting pot. ispin           2 iatom           6 ilm          19 rms
  3.353254140565637E-004
 cutting pot. ispin           2 iatom           6 ilm          20 rms
  2.766872818578774E-004
 cutting pot. ispin           2 iatom           6 ilm          22 rms
  4.787912339707527E-004
 cutting pot. ispin           2 iatom           6 ilm          23 rms
  1.951934629834448E-004
 cutting pot. ispin           2 iatom           6 ilm          24 rms
  3.905607211942321E-006
 cutting pot. ispin           2 iatom           6 ilm          25 rms
  2.402384217183273E-004
 cutting pot. ispin           2 iatom           6 ilm          26 rms
  1.710466673593200E-004
 cutting pot. ispin           2 iatom           6 ilm          28 rms
  5.079506032164224E-004
 cutting pot. ispin           2 iatom           6 ilm          31 rms
  1.989153998649731E-004
 cutting pot. ispin           2 iatom           6 ilm          33 rms
  1.578241548747273E-004
 cutting pot. ispin           2 iatom           6 ilm          34 rms
  1.525704317240374E-006
 cutting pot. ispin           2 iatom           6 ilm          37 rms
  7.245652718244781E-007
 cutting pot. ispin           2 iatom           6 ilm          38 rms
  3.290448584142802E-004
 cutting pot. ispin           2 iatom           6 ilm          39 rms
  4.741381980096657E-004
 cutting pot. ispin           2 iatom           6 ilm          41 rms
  4.640373774364149E-004
 cutting pot. ispin           2 iatom           6 ilm          42 rms
  1.145695667098094E-004
 cutting pot. ispin           2 iatom           6 ilm          44 rms
  1.996397468201280E-004
 cutting pot. ispin           2 iatom           6 ilm          45 rms
  2.683373713972620E-004
 cutting pot. ispin           2 iatom           6 ilm          46 rms
  1.609328232889775E-007
 cutting pot. ispin           2 iatom           6 ilm          47 rms
  2.734855330109450E-004
 cutting pot. ispin           2 iatom           6 ilm          48 rms
  5.702744528749351E-004
 cutting pot. ispin           2 iatom           7 ilm          10 rms
  6.661388272121797E-004
 cutting pot. ispin           2 iatom           7 ilm          12 rms
  3.992207943335500E-004
 cutting pot. ispin           2 iatom           7 ilm          13 rms
  7.689567510073566E-004
 cutting pot. ispin           2 iatom           7 ilm          15 rms
  5.895692485714779E-004
 cutting pot. ispin           2 iatom           7 ilm          16 rms
  7.307929120621406E-006
 cutting pot. ispin           2 iatom           7 ilm          17 rms
  4.164207329135886E-004
 cutting pot. ispin           2 iatom           7 ilm          19 rms
  3.353255527956212E-004
 cutting pot. ispin           2 iatom           7 ilm          20 rms
  2.766872695936052E-004
 cutting pot. ispin           2 iatom           7 ilm          22 rms
  4.787914313414860E-004
 cutting pot. ispin           2 iatom           7 ilm          23 rms
  1.951934599727926E-004
 cutting pot. ispin           2 iatom           7 ilm          24 rms
  3.906329236391208E-006
 cutting pot. ispin           2 iatom           7 ilm          25 rms
  2.402384127498951E-004
 cutting pot. ispin           2 iatom           7 ilm          26 rms
  1.710466603400258E-004
 cutting pot. ispin           2 iatom           7 ilm          28 rms
  5.079505937079582E-004
 cutting pot. ispin           2 iatom           7 ilm          31 rms
  1.989153872870596E-004
 cutting pot. ispin           2 iatom           7 ilm          33 rms
  1.578241456957994E-004
 cutting pot. ispin           2 iatom           7 ilm          34 rms
  1.525696914710120E-006
 cutting pot. ispin           2 iatom           7 ilm          37 rms
  7.247013386379233E-007
 cutting pot. ispin           2 iatom           7 ilm          38 rms
  3.290448471114873E-004
 cutting pot. ispin           2 iatom           7 ilm          39 rms
  4.741384655768508E-004
 cutting pot. ispin           2 iatom           7 ilm          41 rms
  4.640374684200071E-004
 cutting pot. ispin           2 iatom           7 ilm          42 rms
  1.145695615379896E-004
 cutting pot. ispin           2 iatom           7 ilm          44 rms
  1.996399074569370E-004
 cutting pot. ispin           2 iatom           7 ilm          45 rms
  2.683373605833949E-004
 cutting pot. ispin           2 iatom           7 ilm          46 rms
  1.609246740761581E-007
 cutting pot. ispin           2 iatom           7 ilm          47 rms
  2.734855223890915E-004
 cutting pot. ispin           2 iatom           7 ilm          48 rms
  5.702747465861083E-004
 cutting pot. ispin           2 iatom           8 ilm           2 rms
  2.086773986360640E-005
 cutting pot. ispin           2 iatom           8 ilm           4 rms
  9.755245585696592E-011
 cutting pot. ispin           2 iatom           8 ilm           5 rms
  2.759002083583576E-010
 cutting pot. ispin           2 iatom           8 ilm           6 rms
  7.823113651298555E-006
 cutting pot. ispin           2 iatom           8 ilm           8 rms
  8.995898551068327E-010
 cutting pot. ispin           2 iatom           8 ilm           9 rms
  5.056255975407789E-006
 cutting pot. ispin           2 iatom           8 ilm          11 rms
  9.996892660751910E-011
 cutting pot. ispin           2 iatom           8 ilm          12 rms
  4.863592516268899E-006
 cutting pot. ispin           2 iatom           8 ilm          14 rms
  1.184197720069419E-010
 cutting pot. ispin           2 iatom           8 ilm          15 rms
  3.754675744581227E-006
 cutting pot. ispin           2 iatom           8 ilm          16 rms
  1.180808781149797E-010
 cutting pot. ispin           2 iatom           8 ilm          17 rms
  2.597595449132633E-010
 cutting pot. ispin           2 iatom           8 ilm          19 rms
  6.627250106754947E-011
 cutting pot. ispin           2 iatom           8 ilm          20 rms
  9.679340700319806E-007
 cutting pot. ispin           2 iatom           8 ilm          22 rms
  1.984920151910258E-010
 cutting pot. ispin           2 iatom           8 ilm          23 rms
  2.951212943378092E-006
 cutting pot. ispin           2 iatom           8 ilm          24 rms
  3.781773918508612E-010
 cutting pot. ispin           2 iatom           8 ilm          25 rms
  1.011716740746268E-006
 cutting pot. ispin           2 iatom           8 ilm          26 rms
  1.923243872176464E-006
 cutting pot. ispin           2 iatom           8 ilm          27 rms
  8.600423131166258E-011
 cutting pot. ispin           2 iatom           8 ilm          29 rms
  3.726581840642365E-011
 cutting pot. ispin           2 iatom           8 ilm          30 rms
  1.462567557809239E-006
 cutting pot. ispin           2 iatom           8 ilm          32 rms
  6.197563662077035E-011
 cutting pot. ispin           2 iatom           8 ilm          33 rms
  1.160175077884205E-006
 cutting pot. ispin           2 iatom           8 ilm          34 rms
  6.293780022548848E-011
 cutting pot. ispin           2 iatom           8 ilm          35 rms
  3.518072373482688E-006
 cutting pot. ispin           2 iatom           8 ilm          36 rms
  5.843337185915245E-011
 cutting pot. ispin           2 iatom           8 ilm          37 rms
  1.168839454241096E-010
 cutting pot. ispin           2 iatom           8 ilm          38 rms
  8.083550200567462E-007
 cutting pot. ispin           2 iatom           8 ilm          39 rms
  1.051730213932694E-010
 cutting pot. ispin           2 iatom           8 ilm          41 rms
  6.352378679805178E-011
 cutting pot. ispin           2 iatom           8 ilm          42 rms
  6.534343516615602E-007
 cutting pot. ispin           2 iatom           8 ilm          44 rms
  4.463136366983934E-011
 cutting pot. ispin           2 iatom           8 ilm          45 rms
  1.588867278338793E-006
 cutting pot. ispin           2 iatom           8 ilm          46 rms
  5.454844957944597E-011
 cutting pot. ispin           2 iatom           8 ilm          47 rms
  2.533105442937899E-006
 cutting pot. ispin           2 iatom           8 ilm          48 rms
  1.349145790026701E-010
 cutting pot. ispin           2 iatom           9 ilm           4 rms
  4.043866038519402E-011
 cutting pot. ispin           2 iatom           9 ilm           5 rms
  5.716460607447460E-011
 cutting pot. ispin           2 iatom           9 ilm           8 rms
  4.347967014389318E-010
 cutting pot. ispin           2 iatom           9 ilm          11 rms
  5.676093647076021E-011
 cutting pot. ispin           2 iatom           9 ilm          12 rms
  4.067451916360753E-004
 cutting pot. ispin           2 iatom           9 ilm          14 rms
  3.650052833168468E-011
 cutting pot. ispin           2 iatom           9 ilm          16 rms
  2.602549725556882E-011
 cutting pot. ispin           2 iatom           9 ilm          17 rms
  6.675110477950866E-011
 cutting pot. ispin           2 iatom           9 ilm          19 rms
  7.818508505728610E-011
 cutting pot. ispin           2 iatom           9 ilm          20 rms
  3.489501980133519E-004
 cutting pot. ispin           2 iatom           9 ilm          22 rms
  7.812779559721084E-011
 cutting pot. ispin           2 iatom           9 ilm          23 rms
  3.565023514468895E-004
 cutting pot. ispin           2 iatom           9 ilm          24 rms
  1.026187774208563E-010
 cutting pot. ispin           2 iatom           9 ilm          25 rms
  2.898266921582225E-004
 cutting pot. ispin           2 iatom           9 ilm          26 rms
  2.802264849659566E-004
 cutting pot. ispin           2 iatom           9 ilm          27 rms
  4.696123547021916E-011
 cutting pot. ispin           2 iatom           9 ilm          29 rms
  4.596410806862852E-012
 cutting pot. ispin           2 iatom           9 ilm          32 rms
  6.218110504794394E-011
 cutting pot. ispin           2 iatom           9 ilm          33 rms
  2.469270517212688E-004
 cutting pot. ispin           2 iatom           9 ilm          34 rms
  1.946067024270589E-011
 cutting pot. ispin           2 iatom           9 ilm          36 rms
  1.357833155119969E-011
 cutting pot. ispin           2 iatom           9 ilm          37 rms
  9.625125207060288E-011
 cutting pot. ispin           2 iatom           9 ilm          38 rms
  1.870094917440776E-004
 cutting pot. ispin           2 iatom           9 ilm          39 rms
  7.852779206488878E-011
 cutting pot. ispin           2 iatom           9 ilm          41 rms
  6.953575792014181E-011
 cutting pot. ispin           2 iatom           9 ilm          42 rms
  5.399772576909954E-004
 cutting pot. ispin           2 iatom           9 ilm          44 rms
  3.601388520294701E-011
 cutting pot. ispin           2 iatom           9 ilm          45 rms
  4.176710362348135E-004
 cutting pot. ispin           2 iatom           9 ilm          46 rms
  4.820820630742822E-011
 cutting pot. ispin           2 iatom           9 ilm          47 rms
  2.554227585048712E-004
 cutting pot. ispin           2 iatom           9 ilm          48 rms
  6.637648249977153E-011
 cutting pot. ispin           2 iatom          10 ilm          12 rms
  2.058034885188682E-004
 cutting pot. ispin           2 iatom          10 ilm          14 rms
  3.501473311253414E-004
 cutting pot. ispin           2 iatom          10 ilm          16 rms
  7.488904257121546E-006
 cutting pot. ispin           2 iatom          10 ilm          17 rms
  2.508739661056563E-004
 cutting pot. ispin           2 iatom          10 ilm          19 rms
  3.068442598739278E-004
 cutting pot. ispin           2 iatom          10 ilm          20 rms
  1.739932897259739E-004
 cutting pot. ispin           2 iatom          10 ilm          22 rms
  3.022195077531468E-004
 cutting pot. ispin           2 iatom          10 ilm          23 rms
  1.778771534383173E-004
 cutting pot. ispin           2 iatom          10 ilm          24 rms
  2.100340775735499E-006
 cutting pot. ispin           2 iatom          10 ilm          25 rms
  1.435807862725916E-004
 cutting pot. ispin           2 iatom          10 ilm          26 rms
  1.375342444415331E-004
 cutting pot. ispin           2 iatom          10 ilm          29 rms
  2.151360543700004E-004
 cutting pot. ispin           2 iatom          10 ilm          30 rms
  3.842331197412072E-004
 cutting pot. ispin           2 iatom          10 ilm          33 rms
  1.222074977849060E-004
 cutting pot. ispin           2 iatom          10 ilm          34 rms
  1.700195373287154E-006
 cutting pot. ispin           2 iatom          10 ilm          35 rms
  3.029637180538475E-004
 cutting pot. ispin           2 iatom          10 ilm          36 rms
  2.432456539410647E-004
 cutting pot. ispin           2 iatom          10 ilm          37 rms
  5.166630815552128E-007
 cutting pot. ispin           2 iatom          10 ilm          38 rms
  9.450526262671572E-005
 cutting pot. ispin           2 iatom          10 ilm          39 rms
  2.220093013605189E-004
 cutting pot. ispin           2 iatom          10 ilm          41 rms
  3.608087213453483E-004
 cutting pot. ispin           2 iatom          10 ilm          42 rms
  2.699940564564947E-004
 cutting pot. ispin           2 iatom          10 ilm          44 rms
  4.677355737857479E-004
 cutting pot. ispin           2 iatom          10 ilm          45 rms
  2.094428275571556E-004
 cutting pot. ispin           2 iatom          10 ilm          46 rms
  3.982123241847587E-007
 cutting pot. ispin           2 iatom          10 ilm          47 rms
  1.273887289662686E-004
 cutting pot. ispin           2 iatom          10 ilm          48 rms
  1.616649288952006E-004
 cutting pot. ispin           2 iatom          11 ilm          12 rms
  2.058034648756593E-004
 cutting pot. ispin           2 iatom          11 ilm          14 rms
  3.501473553820717E-004
 cutting pot. ispin           2 iatom          11 ilm          16 rms
  7.488993023052982E-006
 cutting pot. ispin           2 iatom          11 ilm          17 rms
  2.508740267789066E-004
 cutting pot. ispin           2 iatom          11 ilm          19 rms
  3.068443524690909E-004
 cutting pot. ispin           2 iatom          11 ilm          20 rms
  1.739932825737226E-004
 cutting pot. ispin           2 iatom          11 ilm          22 rms
  3.022196124131365E-004
 cutting pot. ispin           2 iatom          11 ilm          23 rms
  1.778771463077023E-004
 cutting pot. ispin           2 iatom          11 ilm          24 rms
  2.100512476483284E-006
 cutting pot. ispin           2 iatom          11 ilm          25 rms
  1.435807766043434E-004
 cutting pot. ispin           2 iatom          11 ilm          26 rms
  1.375342378880243E-004
 cutting pot. ispin           2 iatom          11 ilm          29 rms
  2.151360788898175E-004
 cutting pot. ispin           2 iatom          11 ilm          30 rms
  3.842331048095718E-004
 cutting pot. ispin           2 iatom          11 ilm          33 rms
  1.222074979831579E-004
 cutting pot. ispin           2 iatom          11 ilm          34 rms
  1.700224800486503E-006
 cutting pot. ispin           2 iatom          11 ilm          35 rms
  3.029637027679298E-004
 cutting pot. ispin           2 iatom          11 ilm          36 rms
  2.432456807740876E-004
 cutting pot. ispin           2 iatom          11 ilm          37 rms
  5.167933668286296E-007
 cutting pot. ispin           2 iatom          11 ilm          38 rms
  9.450526773909522E-005
 cutting pot. ispin           2 iatom          11 ilm          39 rms
  2.220094146256312E-004
 cutting pot. ispin           2 iatom          11 ilm          41 rms
  3.608086611101874E-004
 cutting pot. ispin           2 iatom          11 ilm          42 rms
  2.699940487526807E-004
 cutting pot. ispin           2 iatom          11 ilm          44 rms
  4.677355895393363E-004
 cutting pot. ispin           2 iatom          11 ilm          45 rms
  2.094428221855222E-004
 cutting pot. ispin           2 iatom          11 ilm          46 rms
  3.982858792791905E-007
 cutting pot. ispin           2 iatom          11 ilm          47 rms
  1.273887223507790E-004
 cutting pot. ispin           2 iatom          11 ilm          48 rms
  1.616647966889718E-004
 cutting pot. ispin           2 iatom          12 ilm           2 rms
  3.118755576231275E-006
 cutting pot. ispin           2 iatom          12 ilm           4 rms
  3.306187478043112E-010
 cutting pot. ispin           2 iatom          12 ilm           5 rms
  2.894340094182206E-010
 cutting pot. ispin           2 iatom          12 ilm           6 rms
  4.653373529506212E-006
 cutting pot. ispin           2 iatom          12 ilm           8 rms
  7.967534921991763E-010
 cutting pot. ispin           2 iatom          12 ilm           9 rms
  1.397569771712610E-006
 cutting pot. ispin           2 iatom          12 ilm          11 rms
  7.841452228001148E-011
 cutting pot. ispin           2 iatom          12 ilm          12 rms
  8.035207726797008E-007
 cutting pot. ispin           2 iatom          12 ilm          14 rms
  2.153152202326329E-010
 cutting pot. ispin           2 iatom          12 ilm          15 rms
  1.763034257702410E-006
 cutting pot. ispin           2 iatom          12 ilm          16 rms
  2.546657582632435E-010
 cutting pot. ispin           2 iatom          12 ilm          17 rms
  3.053899820524737E-010
 cutting pot. ispin           2 iatom          12 ilm          19 rms
  1.030913152606273E-010
 cutting pot. ispin           2 iatom          12 ilm          20 rms
  8.932840916180513E-007
 cutting pot. ispin           2 iatom          12 ilm          22 rms
  1.906152047464118E-010
 cutting pot. ispin           2 iatom          12 ilm          23 rms
  8.018929146337429E-007
 cutting pot. ispin           2 iatom          12 ilm          24 rms
  3.199529814355499E-010
 cutting pot. ispin           2 iatom          12 ilm          25 rms
  4.666205504174501E-007
 cutting pot. ispin           2 iatom          12 ilm          26 rms
  6.540312677724003E-007
 cutting pot. ispin           2 iatom          12 ilm          27 rms
  8.962752326819964E-011
 cutting pot. ispin           2 iatom          12 ilm          29 rms
  5.231338298667301E-011
 cutting pot. ispin           2 iatom          12 ilm          30 rms
  7.909436526140294E-007
 cutting pot. ispin           2 iatom          12 ilm          32 rms
  5.817223499087718E-011
 cutting pot. ispin           2 iatom          12 ilm          33 rms
  3.250166737917205E-007
 cutting pot. ispin           2 iatom          12 ilm          34 rms
  8.409626409239549E-011
 cutting pot. ispin           2 iatom          12 ilm          35 rms
  1.260526683936646E-006
 cutting pot. ispin           2 iatom          12 ilm          36 rms
  9.240531974922899E-011
 cutting pot. ispin           2 iatom          12 ilm          37 rms
  1.287620135234357E-010
 cutting pot. ispin           2 iatom          12 ilm          38 rms
  6.714832697836837E-007
 cutting pot. ispin           2 iatom          12 ilm          39 rms
  7.858237596801104E-011
 cutting pot. ispin           2 iatom          12 ilm          41 rms
  6.550448873192866E-011
 cutting pot. ispin           2 iatom          12 ilm          42 rms
  4.955767206341418E-007
 cutting pot. ispin           2 iatom          12 ilm          44 rms
  9.296957381626571E-011
 cutting pot. ispin           2 iatom          12 ilm          45 rms
  1.462568184637701E-006
 cutting pot. ispin           2 iatom          12 ilm          46 rms
  5.010119715148061E-011
 cutting pot. ispin           2 iatom          12 ilm          47 rms
  1.155627217009820E-006
 cutting pot. ispin           2 iatom          12 ilm          48 rms
  9.639818866673266E-011
 cutting pot. ispin           2 iatom          13 ilm           4 rms
  4.504102461229645E-010
 cutting pot. ispin           2 iatom          13 ilm           5 rms
  2.546499258345296E-010
 cutting pot. ispin           2 iatom          13 ilm           8 rms
  4.036372119939890E-010
 cutting pot. ispin           2 iatom          13 ilm           9 rms
  2.104197994869051E-004
 cutting pot. ispin           2 iatom          13 ilm          11 rms
  9.157991811529348E-011
 cutting pot. ispin           2 iatom          13 ilm          14 rms
  9.063793712806352E-011
 cutting pot. ispin           2 iatom          13 ilm          16 rms
  7.647444645339129E-011
 cutting pot. ispin           2 iatom          13 ilm          17 rms
  1.346856359014541E-010
 cutting pot. ispin           2 iatom          13 ilm          19 rms
  5.092314224020163E-011
 cutting pot. ispin           2 iatom          13 ilm          20 rms
  2.631621481636295E-004
 cutting pot. ispin           2 iatom          13 ilm          22 rms
  1.682706671895856E-010
 cutting pot. ispin           2 iatom          13 ilm          24 rms
  6.390666931529594E-011
 cutting pot. ispin           2 iatom          13 ilm          25 rms
  1.720777588239401E-004
 cutting pot. ispin           2 iatom          13 ilm          26 rms
  8.988349918197606E-005
 cutting pot. ispin           2 iatom          13 ilm          27 rms
  1.191756567814487E-010
 cutting pot. ispin           2 iatom          13 ilm          29 rms
  1.109915381630612E-010
 cutting pot. ispin           2 iatom          13 ilm          30 rms
  8.795882638845204E-005
 cutting pot. ispin           2 iatom          13 ilm          32 rms
  8.161413789775661E-011
 cutting pot. ispin           2 iatom          13 ilm          33 rms
  2.473017580278418E-004
 cutting pot. ispin           2 iatom          13 ilm          34 rms
  6.970687659003667E-011
 cutting pot. ispin           2 iatom          13 ilm          35 rms
  1.458889541104742E-004
 cutting pot. ispin           2 iatom          13 ilm          36 rms
  1.012450763281059E-010
 cutting pot. ispin           2 iatom          13 ilm          37 rms
  1.004718877987452E-010
 cutting pot. ispin           2 iatom          13 ilm          38 rms
  6.791671370856485E-005
 cutting pot. ispin           2 iatom          13 ilm          39 rms
  6.338166632049190E-011
 cutting pot. ispin           2 iatom          13 ilm          41 rms
  3.161567859632826E-011
 cutting pot. ispin           2 iatom          13 ilm          42 rms
  7.740145880204283E-005
 cutting pot. ispin           2 iatom          13 ilm          44 rms
  7.464312186289969E-011
 cutting pot. ispin           2 iatom          13 ilm          45 rms
  1.340876924915975E-004
 cutting pot. ispin           2 iatom          13 ilm          46 rms
  5.754162490325792E-011
 cutting pot. ispin           2 iatom          13 ilm          48 rms
  8.953231746054391E-011
 cutting pot. ispin           2 iatom          14 ilm           5 rms
  1.841430388986210E-004
 cutting pot. ispin           2 iatom          14 ilm           9 rms
  1.059232272807554E-004
 cutting pot. ispin           2 iatom          14 ilm          15 rms
  1.201349388855088E-004
 cutting pot. ispin           2 iatom          14 ilm          16 rms
  2.154751259155161E-007
 cutting pot. ispin           2 iatom          14 ilm          17 rms
  1.491467351787694E-004
 cutting pot. ispin           2 iatom          14 ilm          20 rms
  1.328386025454248E-004
 cutting pot. ispin           2 iatom          14 ilm          22 rms
  2.291047522343615E-004
 cutting pot. ispin           2 iatom          14 ilm          23 rms
  8.344959162646717E-005
 cutting pot. ispin           2 iatom          14 ilm          24 rms
  1.391835485806701E-006
 cutting pot. ispin           2 iatom          14 ilm          25 rms
  8.557103708711929E-005
 cutting pot. ispin           2 iatom          14 ilm          26 rms
  4.406424098891847E-005
 cutting pot. ispin           2 iatom          14 ilm          27 rms
  1.267663755855542E-004
 cutting pot. ispin           2 iatom          14 ilm          29 rms
  2.159761794279988E-004
 cutting pot. ispin           2 iatom          14 ilm          30 rms
  4.453368630843175E-005
 cutting pot. ispin           2 iatom          14 ilm          32 rms
  7.620092432684435E-005
 cutting pot. ispin           2 iatom          14 ilm          33 rms
  1.241605806682681E-004
 cutting pot. ispin           2 iatom          14 ilm          34 rms
  5.498813730620906E-007
 cutting pot. ispin           2 iatom          14 ilm          35 rms
  7.283289958209478E-005
 cutting pot. ispin           2 iatom          14 ilm          36 rms
  7.784960132015805E-005
 cutting pot. ispin           2 iatom          14 ilm          37 rms
  3.411413847930068E-007
 cutting pot. ispin           2 iatom          14 ilm          38 rms
  3.394884060132629E-005
 cutting pot. ispin           2 iatom          14 ilm          41 rms
  1.166773477202208E-004
 cutting pot. ispin           2 iatom          14 ilm          42 rms
  3.891645804915797E-005
 cutting pot. ispin           2 iatom          14 ilm          44 rms
  6.716559962012432E-005
 cutting pot. ispin           2 iatom          14 ilm          45 rms
  6.693048733221873E-005
 cutting pot. ispin           2 iatom          14 ilm          46 rms
  3.805301748221985E-007
 cutting pot. ispin           2 iatom          14 ilm          47 rms
  5.222020508063026E-005
 cutting pot. ispin           2 iatom          14 ilm          48 rms
  5.936887286302217E-005
 cutting pot. ispin           2 iatom          15 ilm           5 rms
  1.841427977297496E-004
 cutting pot. ispin           2 iatom          15 ilm           9 rms
  1.059232246355017E-004
 cutting pot. ispin           2 iatom          15 ilm          15 rms
  1.201349278714484E-004
 cutting pot. ispin           2 iatom          15 ilm          16 rms
  2.155052785843895E-007
 cutting pot. ispin           2 iatom          15 ilm          17 rms
  1.491469855983264E-004
 cutting pot. ispin           2 iatom          15 ilm          20 rms
  1.328385933829898E-004
 cutting pot. ispin           2 iatom          15 ilm          22 rms
  2.291050490989103E-004
 cutting pot. ispin           2 iatom          15 ilm          23 rms
  8.344958491892460E-005
 cutting pot. ispin           2 iatom          15 ilm          24 rms
  1.391728581073854E-006
 cutting pot. ispin           2 iatom          15 ilm          25 rms
  8.557103449368314E-005
 cutting pot. ispin           2 iatom          15 ilm          26 rms
  4.406424057806169E-005
 cutting pot. ispin           2 iatom          15 ilm          27 rms
  1.267665853890041E-004
 cutting pot. ispin           2 iatom          15 ilm          29 rms
  2.159763492512767E-004
 cutting pot. ispin           2 iatom          15 ilm          30 rms
  4.453368307484076E-005
 cutting pot. ispin           2 iatom          15 ilm          32 rms
  7.620107464985131E-005
 cutting pot. ispin           2 iatom          15 ilm          33 rms
  1.241605737494729E-004
 cutting pot. ispin           2 iatom          15 ilm          34 rms
  5.499934886950732E-007
 cutting pot. ispin           2 iatom          15 ilm          35 rms
  7.283289790930610E-005
 cutting pot. ispin           2 iatom          15 ilm          36 rms
  7.784978786500011E-005
 cutting pot. ispin           2 iatom          15 ilm          37 rms
  3.410129778158257E-007
 cutting pot. ispin           2 iatom          15 ilm          38 rms
  3.394883917770863E-005
 cutting pot. ispin           2 iatom          15 ilm          41 rms
  1.166773587966323E-004
 cutting pot. ispin           2 iatom          15 ilm          42 rms
  3.891645612247375E-005
 cutting pot. ispin           2 iatom          15 ilm          44 rms
  6.716570463954082E-005
 cutting pot. ispin           2 iatom          15 ilm          45 rms
  6.693048520403485E-005
 cutting pot. ispin           2 iatom          15 ilm          46 rms
  3.804355692286206E-007
 cutting pot. ispin           2 iatom          15 ilm          47 rms
  5.222020275561557E-005
 cutting pot. ispin           2 iatom          15 ilm          48 rms
  5.936884562287184E-005
 cutting pot. ispin           2 iatom          16 ilm           6 rms
  2.899082673839678E-004
 cutting pot. ispin           2 iatom          16 ilm           8 rms
  3.621751750960776E-004
 cutting pot. ispin           2 iatom          16 ilm           9 rms
  1.784093913737182E-004
 cutting pot. ispin           2 iatom          16 ilm          11 rms
  5.894574206862638E-005
 cutting pot. ispin           2 iatom          16 ilm          12 rms
  1.836986290853586E-004
 cutting pot. ispin           2 iatom          16 ilm          14 rms
  1.259618787418587E-004
 cutting pot. ispin           2 iatom          16 ilm          15 rms
  7.080702453439436E-005
 cutting pot. ispin           2 iatom          16 ilm          16 rms
  1.259255860966167E-004
 cutting pot. ispin           2 iatom          16 ilm          17 rms
  8.875801456978198E-005
 cutting pot. ispin           2 iatom          16 ilm          19 rms
  6.964010737793286E-005
 cutting pot. ispin           2 iatom          16 ilm          20 rms
  5.044533555467052E-005
 cutting pot. ispin           2 iatom          16 ilm          22 rms
  6.656989365395881E-005
 cutting pot. ispin           2 iatom          16 ilm          23 rms
  1.037947164662706E-004
 cutting pot. ispin           2 iatom          16 ilm          24 rms
  1.264692532548051E-005
 cutting pot. ispin           2 iatom          16 ilm          25 rms
  3.227607202348764E-005
 cutting pot. ispin           2 iatom          16 ilm          26 rms
  2.390118454166096E-005
 cutting pot. ispin           2 iatom          16 ilm          27 rms
  2.868281396955354E-005
 cutting pot. ispin           2 iatom          16 ilm          29 rms
  2.617448749479896E-005
 cutting pot. ispin           2 iatom          16 ilm          30 rms
  4.327730938094998E-005
 cutting pot. ispin           2 iatom          16 ilm          32 rms
  3.027267239457581E-005
 cutting pot. ispin           2 iatom          16 ilm          33 rms
  4.258583801659887E-005
 cutting pot. ispin           2 iatom          16 ilm          34 rms
  2.854981978302963E-005
 cutting pot. ispin           2 iatom          16 ilm          35 rms
  9.016590741889679E-005
 cutting pot. ispin           2 iatom          16 ilm          36 rms
  4.838166938413645E-005
 cutting pot. ispin           2 iatom          16 ilm          37 rms
  5.153554662580066E-005
 cutting pot. ispin           2 iatom          16 ilm          38 rms
  2.242641287340087E-005
 cutting pot. ispin           2 iatom          16 ilm          39 rms
  5.519020182435795E-005
 cutting pot. ispin           2 iatom          16 ilm          41 rms
  2.193530175210614E-005
 cutting pot. ispin           2 iatom          16 ilm          42 rms
  2.588212768007595E-005
 cutting pot. ispin           2 iatom          16 ilm          44 rms
  1.211492667751864E-005
 cutting pot. ispin           2 iatom          16 ilm          45 rms
  2.759011568948959E-005
 cutting pot. ispin           2 iatom          16 ilm          46 rms
  1.328610176299268E-005
 cutting pot. ispin           2 iatom          16 ilm          47 rms
  7.208463087633260E-005
 cutting pot. ispin           2 iatom          16 ilm          48 rms
  1.794828247897335E-005
 cutting pot. ispin           2 iatom          17 ilm           5 rms
  7.763599528299167E-005
 cutting pot. ispin           2 iatom          17 ilm           6 rms
  4.540859250900462E-004
 cutting pot. ispin           2 iatom          17 ilm           8 rms
  6.725080120863607E-005
 cutting pot. ispin           2 iatom          17 ilm          11 rms
  4.273705080124081E-005
 cutting pot. ispin           2 iatom          17 ilm          12 rms
  2.024930887918207E-004
 cutting pot. ispin           2 iatom          17 ilm          14 rms
  9.243199331873023E-005
 cutting pot. ispin           2 iatom          17 ilm          15 rms
  8.094983312268292E-005
 cutting pot. ispin           2 iatom          17 ilm          16 rms
  1.256597131686853E-004
 cutting pot. ispin           2 iatom          17 ilm          17 rms
  4.135375799633366E-005
 cutting pot. ispin           2 iatom          17 ilm          19 rms
  1.055220376591129E-004
 cutting pot. ispin           2 iatom          17 ilm          20 rms
  8.031136069473600E-005
 cutting pot. ispin           2 iatom          17 ilm          22 rms
  1.738363397844355E-005
 cutting pot. ispin           2 iatom          17 ilm          23 rms
  6.049045170429570E-005
 cutting pot. ispin           2 iatom          17 ilm          24 rms
  1.289273930973711E-005
 cutting pot. ispin           2 iatom          17 ilm          25 rms
  8.526873539274911E-005
 cutting pot. ispin           2 iatom          17 ilm          26 rms
  4.931932973962297E-005
 cutting pot. ispin           2 iatom          17 ilm          27 rms
  6.848720491604759E-005
 cutting pot. ispin           2 iatom          17 ilm          29 rms
  2.584118257453127E-005
 cutting pot. ispin           2 iatom          17 ilm          30 rms
  4.720977371241390E-005
 cutting pot. ispin           2 iatom          17 ilm          32 rms
  2.375409421155226E-005
 cutting pot. ispin           2 iatom          17 ilm          33 rms
  4.188170514238701E-005
 cutting pot. ispin           2 iatom          17 ilm          34 rms
  2.853771324417967E-005
 cutting pot. ispin           2 iatom          17 ilm          35 rms
  6.260113306554540E-005
 cutting pot. ispin           2 iatom          17 ilm          36 rms
  2.349099011186435E-005
 cutting pot. ispin           2 iatom          17 ilm          37 rms
  5.132478534411415E-005
 cutting pot. ispin           2 iatom          17 ilm          38 rms
  2.356717023395164E-005
 cutting pot. ispin           2 iatom          17 ilm          39 rms
  3.426730361715493E-005
 cutting pot. ispin           2 iatom          17 ilm          41 rms
  1.437318286011790E-005
 cutting pot. ispin           2 iatom          17 ilm          42 rms
  1.974103575166649E-005
 cutting pot. ispin           2 iatom          17 ilm          44 rms
  1.941146539044848E-005
 cutting pot. ispin           2 iatom          17 ilm          45 rms
  3.080952058296006E-005
 cutting pot. ispin           2 iatom          17 ilm          46 rms
  1.302218899911009E-005
 cutting pot. ispin           2 iatom          17 ilm          47 rms
  8.190124356009488E-005
 cutting pot. ispin           2 iatom          17 ilm          48 rms
  1.691769833602623E-005
 cutting pot. ispin           2 iatom          18 ilm           5 rms
  7.763588206525220E-005
 cutting pot. ispin           2 iatom          18 ilm           6 rms
  4.540859271903696E-004
 cutting pot. ispin           2 iatom          18 ilm           8 rms
  6.725020302667821E-005
 cutting pot. ispin           2 iatom          18 ilm          11 rms
  4.273708664201197E-005
 cutting pot. ispin           2 iatom          18 ilm          12 rms
  2.024930655175045E-004
 cutting pot. ispin           2 iatom          18 ilm          14 rms
  9.243212051413407E-005
 cutting pot. ispin           2 iatom          18 ilm          15 rms
  8.094983145105185E-005
 cutting pot. ispin           2 iatom          18 ilm          16 rms
  1.256595403327748E-004
 cutting pot. ispin           2 iatom          18 ilm          17 rms
  4.135359119911414E-005
 cutting pot. ispin           2 iatom          18 ilm          19 rms
  1.055221584261238E-004
 cutting pot. ispin           2 iatom          18 ilm          20 rms
  8.031136523292726E-005
 cutting pot. ispin           2 iatom          18 ilm          22 rms
  1.738352493217565E-005
 cutting pot. ispin           2 iatom          18 ilm          23 rms
  6.049045045997260E-005
 cutting pot. ispin           2 iatom          18 ilm          24 rms
  1.289285649334468E-005
 cutting pot. ispin           2 iatom          18 ilm          25 rms
  8.526873678144426E-005
 cutting pot. ispin           2 iatom          18 ilm          26 rms
  4.931932626490961E-005
 cutting pot. ispin           2 iatom          18 ilm          27 rms
  6.848743587131246E-005
 cutting pot. ispin           2 iatom          18 ilm          29 rms
  2.584134900815718E-005
 cutting pot. ispin           2 iatom          18 ilm          30 rms
  4.720977112594508E-005
 cutting pot. ispin           2 iatom          18 ilm          32 rms
  2.375413779640943E-005
 cutting pot. ispin           2 iatom          18 ilm          33 rms
  4.188170562978107E-005
 cutting pot. ispin           2 iatom          18 ilm          34 rms
  2.853785103429075E-005
 cutting pot. ispin           2 iatom          18 ilm          35 rms
  6.260113427231852E-005
 cutting pot. ispin           2 iatom          18 ilm          36 rms
  2.349089996597851E-005
 cutting pot. ispin           2 iatom          18 ilm          37 rms
  5.132459791331695E-005
 cutting pot. ispin           2 iatom          18 ilm          38 rms
  2.356716684634120E-005
 cutting pot. ispin           2 iatom          18 ilm          39 rms
  3.426740302745018E-005
 cutting pot. ispin           2 iatom          18 ilm          41 rms
  1.437311416322089E-005
 cutting pot. ispin           2 iatom          18 ilm          42 rms
  1.974103424901958E-005
 cutting pot. ispin           2 iatom          18 ilm          44 rms
  1.941159092385624E-005
 cutting pot. ispin           2 iatom          18 ilm          45 rms
  3.080952177456707E-005
 cutting pot. ispin           2 iatom          18 ilm          46 rms
  1.302208799647964E-005
 cutting pot. ispin           2 iatom          18 ilm          47 rms
  8.190124711124348E-005
 cutting pot. ispin           2 iatom          18 ilm          48 rms
  1.691766116884344E-005
 cutting pot. ispin           2 iatom          19 ilm           6 rms
  2.899082599022888E-004
 cutting pot. ispin           2 iatom          19 ilm           8 rms
  3.621759140291458E-004
 cutting pot. ispin           2 iatom          19 ilm           9 rms
  1.784094193006790E-004
 cutting pot. ispin           2 iatom          19 ilm          11 rms
  5.894563166823309E-005
 cutting pot. ispin           2 iatom          19 ilm          12 rms
  1.836986242116079E-004
 cutting pot. ispin           2 iatom          19 ilm          14 rms
  1.259617622035839E-004
 cutting pot. ispin           2 iatom          19 ilm          15 rms
  7.080703002553752E-005
 cutting pot. ispin           2 iatom          19 ilm          16 rms
  1.259257037510764E-004
 cutting pot. ispin           2 iatom          19 ilm          17 rms
  8.875784465192382E-005
 cutting pot. ispin           2 iatom          19 ilm          19 rms
  6.964015528384332E-005
 cutting pot. ispin           2 iatom          19 ilm          20 rms
  5.044532887755645E-005
 cutting pot. ispin           2 iatom          19 ilm          22 rms
  6.657020503143906E-005
 cutting pot. ispin           2 iatom          19 ilm          23 rms
  1.037947212238031E-004
 cutting pot. ispin           2 iatom          19 ilm          24 rms
  1.264681258204862E-005
 cutting pot. ispin           2 iatom          19 ilm          25 rms
  3.227607549144966E-005
 cutting pot. ispin           2 iatom          19 ilm          26 rms
  2.390119550643332E-005
 cutting pot. ispin           2 iatom          19 ilm          27 rms
  2.868275997361684E-005
 cutting pot. ispin           2 iatom          19 ilm          29 rms
  2.617447312017970E-005
 cutting pot. ispin           2 iatom          19 ilm          30 rms
  4.327731079539052E-005
 cutting pot. ispin           2 iatom          19 ilm          32 rms
  3.027258593436762E-005
 cutting pot. ispin           2 iatom          19 ilm          33 rms
  4.258584366509802E-005
 cutting pot. ispin           2 iatom          19 ilm          34 rms
  2.854968061361704E-005
 cutting pot. ispin           2 iatom          19 ilm          35 rms
  9.016591511462351E-005
 cutting pot. ispin           2 iatom          19 ilm          36 rms
  4.838149484382917E-005
 cutting pot. ispin           2 iatom          19 ilm          37 rms
  5.153570869085206E-005
 cutting pot. ispin           2 iatom          19 ilm          38 rms
  2.242641616371487E-005
 cutting pot. ispin           2 iatom          19 ilm          39 rms
  5.519009770916773E-005
 cutting pot. ispin           2 iatom          19 ilm          41 rms
  2.193538337758043E-005
 cutting pot. ispin           2 iatom          19 ilm          42 rms
  2.588213206650230E-005
 cutting pot. ispin           2 iatom          19 ilm          44 rms
  1.211494797879058E-005
 cutting pot. ispin           2 iatom          19 ilm          45 rms
  2.759011780269168E-005
 cutting pot. ispin           2 iatom          19 ilm          46 rms
  1.328619734697210E-005
 cutting pot. ispin           2 iatom          19 ilm          47 rms
  7.208463613646606E-005
 cutting pot. ispin           2 iatom          19 ilm          48 rms
  1.794815316031092E-005
 cutting pot. ispin           2 iatom          20 ilm           2 rms
  2.365005442244094E-004
 cutting pot. ispin           2 iatom          20 ilm           5 rms
  2.845210484892026E-004
 cutting pot. ispin           2 iatom          20 ilm           6 rms
  1.745146833579742E-004
 cutting pot. ispin           2 iatom          20 ilm           8 rms
  4.198699536910003E-004
 cutting pot. ispin           2 iatom          20 ilm          11 rms
  8.575766083547914E-005
 cutting pot. ispin           2 iatom          20 ilm          12 rms
  1.534018046113221E-005
 cutting pot. ispin           2 iatom          20 ilm          14 rms
  2.257983358894168E-004
 cutting pot. ispin           2 iatom          20 ilm          15 rms
  3.341256249310993E-005
 cutting pot. ispin           2 iatom          20 ilm          16 rms
  1.256316312665662E-004
 cutting pot. ispin           2 iatom          20 ilm          17 rms
  6.296605862991718E-005
 cutting pot. ispin           2 iatom          20 ilm          19 rms
  8.261729818978790E-005
 cutting pot. ispin           2 iatom          20 ilm          20 rms
  3.805651573232850E-005
 cutting pot. ispin           2 iatom          20 ilm          22 rms
  7.178009747240688E-005
 cutting pot. ispin           2 iatom          20 ilm          23 rms
  9.873656549802150E-005
 cutting pot. ispin           2 iatom          20 ilm          24 rms
  1.321282158926750E-005
 cutting pot. ispin           2 iatom          20 ilm          25 rms
  6.733641685862847E-005
 cutting pot. ispin           2 iatom          20 ilm          26 rms
  3.547939511125124E-005
 cutting pot. ispin           2 iatom          20 ilm          27 rms
  8.744971664386206E-005
 cutting pot. ispin           2 iatom          20 ilm          29 rms
  4.937501913865647E-005
 cutting pot. ispin           2 iatom          20 ilm          30 rms
  1.001083325030666E-005
 cutting pot. ispin           2 iatom          20 ilm          32 rms
  5.257641288784911E-005
 cutting pot. ispin           2 iatom          20 ilm          33 rms
  1.464949495014223E-005
 cutting pot. ispin           2 iatom          20 ilm          34 rms
  2.944325275261460E-005
 cutting pot. ispin           2 iatom          20 ilm          35 rms
  3.769625657642884E-005
 cutting pot. ispin           2 iatom          20 ilm          36 rms
  4.240948114893114E-005
 cutting pot. ispin           2 iatom          20 ilm          37 rms
  5.112874161689618E-005
 cutting pot. ispin           2 iatom          20 ilm          38 rms
  1.418126425228602E-005
 cutting pot. ispin           2 iatom          20 ilm          39 rms
  8.865784877121462E-005
 cutting pot. ispin           2 iatom          20 ilm          41 rms
  3.243849903142810E-005
 cutting pot. ispin           2 iatom          20 ilm          42 rms
  1.416295885131719E-005
 cutting pot. ispin           2 iatom          20 ilm          44 rms
  2.673963073042805E-005
 cutting pot. ispin           2 iatom          20 ilm          45 rms
  8.339529259364017E-006
 cutting pot. ispin           2 iatom          20 ilm          46 rms
  1.307949365512185E-005
 cutting pot. ispin           2 iatom          20 ilm          47 rms
  1.263949674263966E-005
 cutting pot. ispin           2 iatom          20 ilm          48 rms
  2.682108113137463E-005
 cutting pot. ispin           2 iatom          21 ilm           2 rms
  2.365005948840221E-004
 cutting pot. ispin           2 iatom          21 ilm           5 rms
  2.845215223546225E-004
 cutting pot. ispin           2 iatom          21 ilm           6 rms
  1.745146754774880E-004
 cutting pot. ispin           2 iatom          21 ilm           8 rms
  4.198692335031403E-004
 cutting pot. ispin           2 iatom          21 ilm          11 rms
  8.575775166650920E-005
 cutting pot. ispin           2 iatom          21 ilm          12 rms
  1.534017357075983E-005
 cutting pot. ispin           2 iatom          21 ilm          14 rms
  2.257984500069823E-004
 cutting pot. ispin           2 iatom          21 ilm          15 rms
  3.341255353255860E-005
 cutting pot. ispin           2 iatom          21 ilm          16 rms
  1.256317741217657E-004
 cutting pot. ispin           2 iatom          21 ilm          17 rms
  6.296620274305877E-005
 cutting pot. ispin           2 iatom          21 ilm          19 rms
  8.261740081012536E-005
 cutting pot. ispin           2 iatom          21 ilm          20 rms
  3.805651814055930E-005
 cutting pot. ispin           2 iatom          21 ilm          22 rms
  7.177980929864526E-005
 cutting pot. ispin           2 iatom          21 ilm          23 rms
  9.873657155624994E-005
 cutting pot. ispin           2 iatom          21 ilm          24 rms
  1.321271037517908E-005
 cutting pot. ispin           2 iatom          21 ilm          25 rms
  6.733641371914151E-005
 cutting pot. ispin           2 iatom          21 ilm          26 rms
  3.547939438558832E-005
 cutting pot. ispin           2 iatom          21 ilm          27 rms
  8.744990427599806E-005
 cutting pot. ispin           2 iatom          21 ilm          29 rms
  4.937511927952442E-005
 cutting pot. ispin           2 iatom          21 ilm          30 rms
  1.001083341655023E-005
 cutting pot. ispin           2 iatom          21 ilm          32 rms
  5.257649205560403E-005
 cutting pot. ispin           2 iatom          21 ilm          33 rms
  1.464949457704457E-005
 cutting pot. ispin           2 iatom          21 ilm          34 rms
  2.944311709424565E-005
 cutting pot. ispin           2 iatom          21 ilm          35 rms
  3.769625925332531E-005
 cutting pot. ispin           2 iatom          21 ilm          36 rms
  4.240966681234076E-005
 cutting pot. ispin           2 iatom          21 ilm          37 rms
  5.112891457905081E-005
 cutting pot. ispin           2 iatom          21 ilm          38 rms
  1.418126419298671E-005
 cutting pot. ispin           2 iatom          21 ilm          39 rms
  8.865794959023585E-005
 cutting pot. ispin           2 iatom          21 ilm          41 rms
  3.243841604137961E-005
 cutting pot. ispin           2 iatom          21 ilm          42 rms
  1.416295974995092E-005
 cutting pot. ispin           2 iatom          21 ilm          44 rms
  2.673971713105603E-005
 cutting pot. ispin           2 iatom          21 ilm          45 rms
  8.339529187828495E-006
 cutting pot. ispin           2 iatom          21 ilm          46 rms
  1.307959064689298E-005
 cutting pot. ispin           2 iatom          21 ilm          47 rms
  1.263949766640735E-005
 cutting pot. ispin           2 iatom          21 ilm          48 rms
  2.682118031299088E-005
 cutting pot. ispin           2 iatom          22 ilm           4 rms
  8.894309730887894E-011
 cutting pot. ispin           2 iatom          22 ilm           5 rms
  3.112949321900003E-010
 cutting pot. ispin           2 iatom          22 ilm           8 rms
  6.067365432815023E-010
 cutting pot. ispin           2 iatom          22 ilm           9 rms
  9.709314071214793E-005
 cutting pot. ispin           2 iatom          22 ilm          10 rms
  8.484315887376316E-005
 cutting pot. ispin           2 iatom          22 ilm          11 rms
  1.098994882083095E-011
 cutting pot. ispin           2 iatom          22 ilm          12 rms
  1.099536573747166E-004
 cutting pot. ispin           2 iatom          22 ilm          14 rms
  1.262057431603238E-011
 cutting pot. ispin           2 iatom          22 ilm          15 rms
  9.844286183951486E-005
 cutting pot. ispin           2 iatom          22 ilm          16 rms
  2.126344472787082E-012
 cutting pot. ispin           2 iatom          22 ilm          17 rms
  1.206517058267913E-010
 cutting pot. ispin           2 iatom          22 ilm          19 rms
  4.543289345964625E-011
 cutting pot. ispin           2 iatom          22 ilm          20 rms
  1.637687326997005E-004
 cutting pot. ispin           2 iatom          22 ilm          22 rms
  2.471266824618303E-010
 cutting pot. ispin           2 iatom          22 ilm          23 rms
  1.107216934867445E-004
 cutting pot. ispin           2 iatom          22 ilm          24 rms
  7.841054760904979E-011
 cutting pot. ispin           2 iatom          22 ilm          25 rms
  1.277966023310410E-005
 cutting pot. ispin           2 iatom          22 ilm          26 rms
  2.069691741737882E-005
 cutting pot. ispin           2 iatom          22 ilm          27 rms
  2.571206002865446E-011
 cutting pot. ispin           2 iatom          22 ilm          28 rms
  8.235216974357953E-005
 cutting pot. ispin           2 iatom          22 ilm          29 rms
  2.097766297559582E-011
 cutting pot. ispin           2 iatom          22 ilm          30 rms
  1.067681093880830E-004
 cutting pot. ispin           2 iatom          22 ilm          31 rms
  3.966541287375560E-005
 cutting pot. ispin           2 iatom          22 ilm          32 rms
  4.012950130363648E-012
 cutting pot. ispin           2 iatom          22 ilm          33 rms
  2.679183683846372E-005
 cutting pot. ispin           2 iatom          22 ilm          34 rms
  2.613812660843458E-013
 cutting pot. ispin           2 iatom          22 ilm          35 rms
  6.709181367076191E-005
 cutting pot. ispin           2 iatom          22 ilm          36 rms
  8.581732788726562E-012
 cutting pot. ispin           2 iatom          22 ilm          37 rms
  5.566358607351791E-011
 cutting pot. ispin           2 iatom          22 ilm          38 rms
  4.758786446996722E-006
 cutting pot. ispin           2 iatom          22 ilm          39 rms
  1.571560120521129E-010
 cutting pot. ispin           2 iatom          22 ilm          41 rms
  1.264946571699233E-010
 cutting pot. ispin           2 iatom          22 ilm          42 rms
  8.969154922612227E-005
 cutting pot. ispin           2 iatom          22 ilm          44 rms
  1.403899753449402E-010
 cutting pot. ispin           2 iatom          22 ilm          45 rms
  6.994545475244713E-005
 cutting pot. ispin           2 iatom          22 ilm          46 rms
  9.126214267854626E-011
 cutting pot. ispin           2 iatom          22 ilm          47 rms
  8.432934520588724E-006
 cutting pot. ispin           2 iatom          22 ilm          48 rms
  1.405284234152693E-010
 cutting pot. ispin           2 iatom          23 ilm           5 rms
  8.281494985977384E-005
 cutting pot. ispin           2 iatom          23 ilm           6 rms
  9.176458573871945E-005
 cutting pot. ispin           2 iatom          23 ilm           8 rms
  1.656014672124310E-004
 cutting pot. ispin           2 iatom          23 ilm           9 rms
  4.763604892538521E-005
 cutting pot. ispin           2 iatom          23 ilm          10 rms
  8.474920456238012E-005
 cutting pot. ispin           2 iatom          23 ilm          11 rms
  8.453918573556325E-005
 cutting pot. ispin           2 iatom          23 ilm          12 rms
  5.303372443206943E-005
 cutting pot. ispin           2 iatom          23 ilm          14 rms
  9.751174613465749E-005
 cutting pot. ispin           2 iatom          23 ilm          15 rms
  5.000351049258469E-005
 cutting pot. ispin           2 iatom          23 ilm          16 rms
  1.821923563117584E-007
 cutting pot. ispin           2 iatom          23 ilm          17 rms
  6.266726267496367E-006
 cutting pot. ispin           2 iatom          23 ilm          19 rms
  9.311496111981265E-005
 cutting pot. ispin           2 iatom          23 ilm          20 rms
  8.481407997043860E-005
 cutting pot. ispin           2 iatom          23 ilm          22 rms
  1.512166328547336E-004
 cutting pot. ispin           2 iatom          23 ilm          23 rms
  5.395259385246722E-005
 cutting pot. ispin           2 iatom          23 ilm          24 rms
  1.579454328979285E-007
 cutting pot. ispin           2 iatom          23 ilm          25 rms
  3.987373024004308E-006
 cutting pot. ispin           2 iatom          23 ilm          26 rms
  1.032133099653300E-005
 cutting pot. ispin           2 iatom          23 ilm          27 rms
  5.670109650044417E-005
 cutting pot. ispin           2 iatom          23 ilm          28 rms
  8.242705083986075E-005
 cutting pot. ispin           2 iatom          23 ilm          29 rms
  2.374380443090057E-005
 cutting pot. ispin           2 iatom          23 ilm          30 rms
  5.210623295241348E-005
 cutting pot. ispin           2 iatom          23 ilm          31 rms
  3.919347709591720E-005
 cutting pot. ispin           2 iatom          23 ilm          32 rms
  9.318879973932609E-005
 cutting pot. ispin           2 iatom          23 ilm          33 rms
  1.365787027123652E-005
 cutting pot. ispin           2 iatom          23 ilm          34 rms
  3.312994080689784E-008
 cutting pot. ispin           2 iatom          23 ilm          35 rms
  3.359249099257727E-005
 cutting pot. ispin           2 iatom          23 ilm          36 rms
  1.734928405772662E-005
 cutting pot. ispin           2 iatom          23 ilm          37 rms
  4.871769918571837E-008
 cutting pot. ispin           2 iatom          23 ilm          38 rms
  1.998772360565256E-006
 cutting pot. ispin           2 iatom          23 ilm          39 rms
  1.100144876173460E-005
 cutting pot. ispin           2 iatom          23 ilm          41 rms
  6.291738052419995E-005
 cutting pot. ispin           2 iatom          23 ilm          42 rms
  4.529999451417901E-005
 cutting pot. ispin           2 iatom          23 ilm          44 rms
  8.040470607448204E-005
 cutting pot. ispin           2 iatom          23 ilm          45 rms
  3.617758197251821E-005
 cutting pot. ispin           2 iatom          23 ilm          46 rms
  2.926344991985427E-008
 cutting pot. ispin           2 iatom          23 ilm          47 rms
  5.856583995199159E-006
 cutting pot. ispin           2 iatom          23 ilm          48 rms
  3.329766035502410E-006
 cutting pot. ispin           2 iatom          24 ilm           5 rms
  8.281453618694105E-005
 cutting pot. ispin           2 iatom          24 ilm           6 rms
  9.176460245074894E-005
 cutting pot. ispin           2 iatom          24 ilm           8 rms
  1.656003384400638E-004
 cutting pot. ispin           2 iatom          24 ilm           9 rms
  4.763605623879899E-005
 cutting pot. ispin           2 iatom          24 ilm          10 rms
  8.474920534399797E-005
 cutting pot. ispin           2 iatom          24 ilm          11 rms
  8.453919896040254E-005
 cutting pot. ispin           2 iatom          24 ilm          12 rms
  5.303370856682780E-005
 cutting pot. ispin           2 iatom          24 ilm          14 rms
  9.751173772079417E-005
 cutting pot. ispin           2 iatom          24 ilm          15 rms
  5.000352446636498E-005
 cutting pot. ispin           2 iatom          24 ilm          16 rms
  1.821967968186819E-007
 cutting pot. ispin           2 iatom          24 ilm          17 rms
  6.266916171198262E-006
 cutting pot. ispin           2 iatom          24 ilm          19 rms
  9.311498127059033E-005
 cutting pot. ispin           2 iatom          24 ilm          20 rms
  8.481408245095000E-005
 cutting pot. ispin           2 iatom          24 ilm          22 rms
  1.512161864361544E-004
 cutting pot. ispin           2 iatom          24 ilm          23 rms
  5.395259684217601E-005
 cutting pot. ispin           2 iatom          24 ilm          24 rms
  1.580470982003162E-007
 cutting pot. ispin           2 iatom          24 ilm          25 rms
  3.987372109719931E-006
 cutting pot. ispin           2 iatom          24 ilm          26 rms
  1.032133383420714E-005
 cutting pot. ispin           2 iatom          24 ilm          27 rms
  5.670107709735802E-005
 cutting pot. ispin           2 iatom          24 ilm          28 rms
  8.242705375343148E-005
 cutting pot. ispin           2 iatom          24 ilm          29 rms
  2.374382936978582E-005
 cutting pot. ispin           2 iatom          24 ilm          30 rms
  5.210622910349301E-005
 cutting pot. ispin           2 iatom          24 ilm          31 rms
  3.919347387413208E-005
 cutting pot. ispin           2 iatom          24 ilm          32 rms
  9.318879884223191E-005
 cutting pot. ispin           2 iatom          24 ilm          33 rms
  1.365786962126984E-005
 cutting pot. ispin           2 iatom          24 ilm          34 rms
  3.312840717597938E-008
 cutting pot. ispin           2 iatom          24 ilm          35 rms
  3.359250023140759E-005
 cutting pot. ispin           2 iatom          24 ilm          36 rms
  1.734927465015925E-005
 cutting pot. ispin           2 iatom          24 ilm          37 rms
  4.871764159328084E-008
 cutting pot. ispin           2 iatom          24 ilm          38 rms
  1.998772399433775E-006
 cutting pot. ispin           2 iatom          24 ilm          39 rms
  1.100118542637765E-005
 cutting pot. ispin           2 iatom          24 ilm          41 rms
  6.291713872785908E-005
 cutting pot. ispin           2 iatom          24 ilm          42 rms
  4.529999303970303E-005
 cutting pot. ispin           2 iatom          24 ilm          44 rms
  8.040478646834044E-005
 cutting pot. ispin           2 iatom          24 ilm          45 rms
  3.617758235036289E-005
 cutting pot. ispin           2 iatom          24 ilm          46 rms
  2.913712528818990E-008
 cutting pot. ispin           2 iatom          24 ilm          47 rms
  5.856584361521103E-006
 cutting pot. ispin           2 iatom          24 ilm          48 rms
  3.329776655908245E-006
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end copy pot <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> rites >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end rites <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> ETOTB1 >>>>>>>>>>>>>>>>>>>>>
================================ TOTAL ENERGIES ===============================

   Total energies atom   1
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -6844.33929885 p = -3227.35972218
                                d =  -843.06917424 f =   -22.85750760
       valence  contribution :  s =    -0.07199886 p =    -0.02217518
                                d =    -0.20851781 f =    -0.00240162
                                ns      0.00241752
     single particle energies  spin  up    
         core   contribution :  s = -6844.93432886 p = -3228.79817814
                                d =  -844.24667795 f =   -23.69100952
       valence  contribution :  s =    -0.09528938 p =    -0.02810334
                                d =    -0.61605186 f =    -0.00301592
                                ns      0.00447708
     --------------------------------------------------------------------
     total contribution of the single particle energies : -21880.33655671
                                   band energy per atom :   -1.0406593741

     coulomb  contribution :   0  13785.44255282  1      0.01087847
                               2      0.00058860  3     -0.00173808
                               4      0.00323247  5      0.00018264
                               6     -0.00002138
     --------------------------------------------------------------------
     tot. coulomb contribution :  13785.45567554

     ex.-cor. contribution :   0   -674.01250976  1      0.00872131
                               2      0.00157390  3     -0.00865942
                               4     -0.00857477  5      0.00226740
                               6      0.00005148
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -674.01712986

     eff. pot. contribution     : -26871.74855892
     total double counting contribution                 : -13760.31001324

   Total contribution of atom  1 =-35640.64656995
   Total energies atom   2
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07941096 p =    -0.09189924
                                d =    -0.04062260 f =    -0.01232421
                                ns      0.03723609
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09726418 p =    -0.11266721
                                d =    -0.05268850 f =    -0.01791582
                                ns      0.04867238
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41888426
                                   band energy per atom :   -0.4188842569

     coulomb  contribution :   0     -0.11179947  1      0.00068617
                               2      0.00230636  3      0.00137486
                               4     -0.00051650  5      0.00025666
                               6      0.00001873
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10767320

     ex.-cor. contribution :   0     -0.69213653  1     -0.00060436
                               2      0.05186922  3      0.00949215
                               4      0.01868329  5      0.00380302
                               6      0.00046955
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60842366

     eff. pot. contribution     :     -0.45978421
     total double counting contribution                 :     -1.17588107

   Total contribution of atom  2 =    -1.59476533
   Total energies atom   3
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07933725 p =    -0.09180293
                                d =    -0.04058851 f =    -0.01231180
                                ns      0.03716069
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09717217 p =    -0.11253045
                                d =    -0.05262997 f =    -0.01789387
                                ns      0.04856139
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41854489
                                   band energy per atom :   -0.4185448892

     coulomb  contribution :   0     -0.11202774  1      0.00069399
                               2      0.00231528  3      0.00136998
                               4     -0.00050813  5      0.00025828
                               6      0.00001874
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10787960

     ex.-cor. contribution :   0     -0.69150923  1     -0.00061769
                               2      0.05181613  3      0.00947673
                               4      0.01862685  5      0.00379623
                               6      0.00046741
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60794358

     eff. pot. contribution     :     -0.45942456
     total double counting contribution                 :     -1.17524774

   Total contribution of atom  3 =    -1.59379263
   Total energies atom   4
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07933725 p =    -0.09180294
                                d =    -0.04058851 f =    -0.01231180
                                ns      0.03716069
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09717217 p =    -0.11253045
                                d =    -0.05262998 f =    -0.01789387
                                ns      0.04856139
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41854489
                                   band energy per atom :   -0.4185448934

     coulomb  contribution :   0     -0.11202774  1      0.00069399
                               2      0.00231528  3      0.00136998
                               4     -0.00050813  5      0.00025828
                               6      0.00001874
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10787960

     ex.-cor. contribution :   0     -0.69150923  1     -0.00061769
                               2      0.05181613  3      0.00947673
                               4      0.01862681  5      0.00379623
                               6      0.00046741
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.60794361

     eff. pot. contribution     :     -0.45942456
     total double counting contribution                 :     -1.17524777

   Total contribution of atom  4 =    -1.59379266
   Total energies atom   5
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05001377 p =    -0.06059531
                                d =    -0.02778809 f =    -0.00874019
                                ns      0.00831310
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06139739 p =    -0.07266695
                                d =    -0.03407463 f =    -0.01131435
                                ns      0.01004164
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30823593
                                   band energy per atom :   -0.3082359298

     coulomb  contribution :   0     -0.07356206  1     -0.00040568
                               2     -0.00033250  3     -0.00002545
                               4     -0.00053781  5      0.00004178
                               6      0.00015447
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07466725

     ex.-cor. contribution :   0     -0.43012422  1     -0.00015339
                               2     -0.00033864  3     -0.00004292
                               4      0.01753286  5      0.00001430
                               6      0.00114958
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41196243

     eff. pot. contribution     :     -0.44309474
     total double counting contribution                 :     -0.92972443

   Total contribution of atom  5 =    -1.23796036
   Total energies atom   6
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05000760 p =    -0.06060773
                                d =    -0.02779594 f =    -0.00873915
                                ns      0.00831376
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06138166 p =    -0.07267435
                                d =    -0.03408343 f =    -0.01131402
                                ns      0.01004194
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30824817
                                   band energy per atom :   -0.3082481689

     coulomb  contribution :   0     -0.07346427  1     -0.00040336
                               2     -0.00033264  3     -0.00002473
                               4     -0.00054109  5      0.00004172
                               6      0.00015381
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07457057

     ex.-cor. contribution :   0     -0.43004946  1     -0.00015485
                               2     -0.00033302  3     -0.00004329
                               4      0.01753364  5      0.00001455
                               6      0.00114549
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41188694

     eff. pot. contribution     :     -0.44306166
     total double counting contribution                 :     -0.92951917

   Total contribution of atom  6 =    -1.23776734
   Total energies atom   7
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.05000760 p =    -0.06060773
                                d =    -0.02779594 f =    -0.00873915
                                ns      0.00831376
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.06138166 p =    -0.07267435
                                d =    -0.03408343 f =    -0.01131402
                                ns      0.01004194
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.30824817
                                   band energy per atom :   -0.3082481712

     coulomb  contribution :   0     -0.07346427  1     -0.00040336
                               2     -0.00033264  3     -0.00002473
                               4     -0.00054109  5      0.00004172
                               6      0.00015381
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.07457057

     ex.-cor. contribution :   0     -0.43004946  1     -0.00015485
                               2     -0.00033302  3     -0.00004329
                               4      0.01753365  5      0.00001455
                               6      0.00114549
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.41188694

     eff. pot. contribution     :     -0.44306166
     total double counting contribution                 :     -0.92951916

   Total contribution of atom  7 =    -1.23776733
   Total energies atom   8
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.07353557 p =    -0.08597961
                                d =    -0.03561133 f =    -0.00941139
                                ns      0.01759377
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.08955275 p =    -0.10486825
                                d =    -0.04575989 f =    -0.01316749
                                ns      0.02199638
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.41829613
                                   band energy per atom :   -0.4182961308

     coulomb  contribution :   0     -0.10505401  1     -0.00068315
                               2     -0.00158406  3      0.00184494
                               4     -0.00046160  5      0.00014050
                               6      0.00015062
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.10564677

     ex.-cor. contribution :   0     -0.62508582  1      0.00245935
                               2      0.00375825  3      0.00048308
                               4      0.03033373  5      0.00096551
                               6      0.00053856
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.58654734

     eff. pot. contribution     :     -0.44558093
     total double counting contribution                 :     -1.13777504

   Total contribution of atom  8 =    -1.55607117
   Total energies atom   9
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.60224283 p = -1089.85909817
                                d =  -190.85306523
       valence  contribution :  s =    -0.47157440 p =    -0.17748662
                                d =    -0.01507499 f =    -0.00446085
                                ns     -0.00287463
     single particle energies  spin  up    
         core   contribution :  s = -2636.06841559 p = -1090.90871078
                                d =  -192.01954535
       valence  contribution :  s =    -0.55602652 p =    -0.23763676
                                d =    -0.01988338 f =    -0.00583549
                                ns     -0.00330824
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.80523986
                                   band energy per atom :   -1.4941618940

     coulomb  contribution :   0   5105.66987685  1     -0.00016648
                               2      0.00042705  3      0.00114998
                               4     -0.00721693  5     -0.00000329
                               6      0.00007523
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.66414241

     ex.-cor. contribution :   0   -329.26870861  1     -0.00004681
                               2     -0.00035940  3      0.00349763
                               4     -0.01876259  5      0.00000353
                               6      0.00034742
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.28402883

     eff. pot. contribution     :  -9893.81151276
     total double counting contribution                 :  -5117.43139918

   Total contribution of atom  9 =-12954.23663903
   Total energies atom  10
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.60250359 p = -1089.85967576
                                d =  -190.85368625
       valence  contribution :  s =    -0.47153665 p =    -0.17742925
                                d =    -0.01507822 f =    -0.00446366
                                ns     -0.00287706
     single particle energies  spin  up    
         core   contribution :  s = -2636.06867595 p = -1090.90928755
                                d =  -192.02016487
       valence  contribution :  s =    -0.55599448 p =    -0.23756239
                                d =    -0.01988656 f =    -0.00583887
                                ns     -0.00331213
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.80797325
                                   band energy per atom :   -1.4939792772

     coulomb  contribution :   0   5105.65750762  1     -0.00016279
                               2      0.00042517  3      0.00115191
                               4     -0.00722676  5     -0.00000279
                               6      0.00007539
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.65176775

     ex.-cor. contribution :   0   -329.26833984  1     -0.00004748
                               2     -0.00036194  3      0.00350036
                               4     -0.01878909  5      0.00000426
                               6      0.00034785
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.28368588

     eff. pot. contribution     :  -9893.79590384
     total double counting contribution                 :  -5117.42782197

   Total contribution of atom 10 =-12954.23579523
   Total energies atom  11
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2635.60250356 p = -1089.85967576
                                d =  -190.85368625
       valence  contribution :  s =    -0.47153665 p =    -0.17742925
                                d =    -0.01507822 f =    -0.00446366
                                ns     -0.00287706
     single particle energies  spin  up    
         core   contribution :  s = -2636.06867601 p = -1090.90928755
                                d =  -192.02016488
       valence  contribution :  s =    -0.55599448 p =    -0.23756239
                                d =    -0.01988656 f =    -0.00583887
                                ns     -0.00331213
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -7836.80797330
                                   band energy per atom :   -1.4939792798

     coulomb  contribution :   0   5105.65750783  1     -0.00016279
                               2      0.00042517  3      0.00115191
                               4     -0.00722676  5     -0.00000279
                               6      0.00007539
     --------------------------------------------------------------------
     tot. coulomb contribution :   5105.65176796

     ex.-cor. contribution :   0   -329.26833985  1     -0.00004748
                               2     -0.00036191  3      0.00349744
                               4     -0.01878639  5      0.00000426
                               6      0.00034785
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -329.28368609

     eff. pot. contribution     :  -9893.79590403
     total double counting contribution                 :  -5117.42782216

   Total contribution of atom 11 =-12954.23579545
   Total energies atom  12
   -----------------------
     single particle energies  spin down   
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.09016823 p =    -0.11083634
                                d =    -0.05110600 f =    -0.01535936
                                ns      0.05255347
     single particle energies  spin  up    
         core   contribution :  s =     0.00000000
       valence  contribution :  s =    -0.10644406 p =    -0.12843385
                                d =    -0.06022475 f =    -0.01902948
                                ns      0.06261281
     --------------------------------------------------------------------
     total contribution of the single particle energies :     -0.46643580
                                   band energy per atom :   -0.4664357975

     coulomb  contribution :   0     -0.15508249  1     -0.00094099
                               2     -0.00074651  3      0.00152850
                               4      0.00135903  5      0.00047040
                               6      0.00002810
     --------------------------------------------------------------------
     tot. coulomb contribution :     -0.15338396

     ex.-cor. contribution :   0     -0.68038116  1     -0.00106300
                               2      0.05177768  3      0.00925392
                               4      0.01967644  5      0.00412543
                               6      0.00026636
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :     -0.59634433

     eff. pot. contribution     :     -0.39512320
     total double counting contribution                 :     -1.14485149

   Total contribution of atom 12 =    -1.61128729
   Total energies atom  13
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79737820 p = -1151.29991989
                                d =  -209.78322275
       valence  contribution :  s =    -0.62168369 p =    -0.24119190
                                d =    -0.01394181 f =    -0.00365599
                                ns      0.00125784
     single particle energies  spin  up    
         core   contribution :  s = -2756.26466854 p = -1152.35253768
                                d =  -210.95470896
       valence  contribution :  s =    -0.70822982 p =    -0.33527273
                                d =    -0.01493368 f =    -0.00374465
                                ns      0.00115580
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.39267666
                                   band energy per atom :   -1.9402406377

     coulomb  contribution :   0   5306.50163463  1      0.00078795
                               2     -0.00081619  3     -0.00369066
                               4     -0.00480267  5      0.00048808
                               6     -0.00000176
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.49359937

     ex.-cor. contribution :   0   -339.86870768  1      0.01203428
                               2     -0.00322988  3     -0.01479560
                               4     -0.01428514  5      0.00224352
                               6     -0.00000434
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88674485

     eff. pot. contribution     : -10308.68077830
     total double counting contribution                 :  -5342.07392378

   Total contribution of atom 13 =-13580.46660044
   Total energies atom  14
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79753397 p = -1151.30027323
                                d =  -209.78362001
       valence  contribution :  s =    -0.62169335 p =    -0.24124102
                                d =    -0.01393969 f =    -0.00365573
                                ns      0.00125575
     single particle energies  spin  up    
         core   contribution :  s = -2756.26482410 p = -1152.35289060
                                d =  -210.95510551
       valence  contribution :  s =    -0.70823882 p =    -0.33532931
                                d =    -0.01493147 f =    -0.00374418
                                ns      0.00115347
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.39461177
                                   band energy per atom :   -1.9403643551

     coulomb  contribution :   0   5306.50725235  1      0.00079550
                               2     -0.00081903  3     -0.00368973
                               4     -0.00480427  5      0.00048849
                               6     -0.00000176
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.49922156

     ex.-cor. contribution :   0   -339.86885378  1      0.01203274
                               2     -0.00323650  3     -0.01476284
                               4     -0.01428011  5      0.00224417
                               6     -0.00000421
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88686052

     eff. pot. contribution     : -10308.68431081
     total double counting contribution                 :  -5342.07194977

   Total contribution of atom 14 =-13580.46656154
   Total energies atom  15
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.79753394 p = -1151.30027323
                                d =  -209.78362001
       valence  contribution :  s =    -0.62169335 p =    -0.24124102
                                d =    -0.01393969 f =    -0.00365573
                                ns      0.00125575
     single particle energies  spin  up    
         core   contribution :  s = -2756.26482415 p = -1152.35289060
                                d =  -210.95510550
       valence  contribution :  s =    -0.70823882 p =    -0.33532931
                                d =    -0.01493147 f =    -0.00374418
                                ns      0.00115347
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.39461177
                                   band energy per atom :   -1.9403643550

     coulomb  contribution :   0   5306.50725243  1      0.00079550
                               2     -0.00081903  3     -0.00368973
                               4     -0.00480427  5      0.00048849
                               6     -0.00000176
     --------------------------------------------------------------------
     tot. coulomb contribution :   5306.49922164

     ex.-cor. contribution :   0   -339.86885383  1      0.01203274
                               2     -0.00323653  3     -0.01477032
                               4     -0.01427422  5      0.00224417
                               6     -0.00000421
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.88686220

     eff. pot. contribution     : -10308.68431089
     total double counting contribution                 :  -5342.07195145

   Total contribution of atom 15 =-13580.46656322
   Total energies atom  16
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78950046 p = -1151.28403740
                                d =  -209.76937332
       valence  contribution :  s =    -0.62342121 p =    -0.24290256
                                d =    -0.01376912 f =    -0.00357681
                                ns     -0.00003092
     single particle energies  spin  up    
         core   contribution :  s = -2756.25657713 p = -1152.33607545
                                d =  -210.93976735
       valence  contribution :  s =    -0.70904356 p =    -0.33614956
                                d =    -0.01504518 f =    -0.00383649
                                ns      0.00013632
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32297019
                                   band energy per atom :   -1.9476390832

     coulomb  contribution :   0   5307.43838085  1      0.00098732
                               2     -0.00097920  3     -0.00364457
                               4     -0.00461370  5      0.00042235
                               6     -0.00001232
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.43054074

     ex.-cor. contribution :   0   -339.89433649  1      0.01199997
                               2     -0.00394722  3     -0.01367490
                               4     -0.01402564  5      0.00204455
                               6     -0.00003551
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91197524

     eff. pot. contribution     : -10309.69851677
     total double counting contribution                 :  -5342.17995127

   Total contribution of atom 16 =-13580.50292146
   Total energies atom  17
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78935759 p = -1151.28370752
                                d =  -209.76899169
       valence  contribution :  s =    -0.62335932 p =    -0.24288714
                                d =    -0.01376910 f =    -0.00357661
                                ns     -0.00003562
     single particle energies  spin  up    
         core   contribution :  s = -2756.25643379 p = -1152.33574429
                                d =  -210.93938341
       valence  contribution :  s =    -0.70897317 p =    -0.33611677
                                d =    -0.01504606 f =    -0.00383656
                                ns      0.00012976
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32108887
                                   band energy per atom :   -1.9474705785

     coulomb  contribution :   0   5307.42424187  1      0.00097920
                               2     -0.00098070  3     -0.00364791
                               4     -0.00461505  5      0.00042206
                               6     -0.00001226
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.41638720

     ex.-cor. contribution :   0   -339.89401208  1      0.01199833
                               2     -0.00394153  3     -0.01368473
                               4     -0.01402775  5      0.00204519
                               6     -0.00003542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91165799

     eff. pot. contribution     : -10309.68650774
     total double counting contribution                 :  -5342.18177853

   Total contribution of atom 17 =-13580.50286739
   Total energies atom  18
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78935756 p = -1151.28370752
                                d =  -209.76899169
       valence  contribution :  s =    -0.62335932 p =    -0.24288714
                                d =    -0.01376910 f =    -0.00357661
                                ns     -0.00003562
     single particle energies  spin  up    
         core   contribution :  s = -2756.25643383 p = -1152.33574429
                                d =  -210.93938341
       valence  contribution :  s =    -0.70897317 p =    -0.33611677
                                d =    -0.01504606 f =    -0.00383656
                                ns      0.00012976
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32108887
                                   band energy per atom :   -1.9474705795

     coulomb  contribution :   0   5307.42424195  1      0.00097920
                               2     -0.00098070  3     -0.00364791
                               4     -0.00461505  5      0.00042206
                               6     -0.00001226
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.41638729

     ex.-cor. contribution :   0   -339.89401208  1      0.01199833
                               2     -0.00394151  3     -0.01368594
                               4     -0.01402959  5      0.00204519
                               6     -0.00003542
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91166101

     eff. pot. contribution     : -10309.68650783
     total double counting contribution                 :  -5342.18178155

   Total contribution of atom 18 =-13580.50287043
   Total energies atom  19
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78950048 p = -1151.28403740
                                d =  -209.76937332
       valence  contribution :  s =    -0.62342121 p =    -0.24290256
                                d =    -0.01376912 f =    -0.00357681
                                ns     -0.00003092
     single particle energies  spin  up    
         core   contribution :  s = -2756.25657713 p = -1152.33607545
                                d =  -210.93976734
       valence  contribution :  s =    -0.70904356 p =    -0.33614956
                                d =    -0.01504518 f =    -0.00383649
                                ns      0.00013632
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32297019
                                   band energy per atom :   -1.9476390828

     coulomb  contribution :   0   5307.43838096  1      0.00098732
                               2     -0.00097920  3     -0.00364457
                               4     -0.00461370  5      0.00042235
                               6     -0.00001232
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.43054084

     ex.-cor. contribution :   0   -339.89433651  1      0.01199997
                               2     -0.00394722  3     -0.01367497
                               4     -0.01402380  5      0.00204455
                               6     -0.00003551
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91197349

     eff. pot. contribution     : -10309.69851690
     total double counting contribution                 :  -5342.17994955

   Total contribution of atom 19 =-13580.50291974
   Total energies atom  20
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78945983 p = -1151.28394491
                                d =  -209.76926909
       valence  contribution :  s =    -0.62339765 p =    -0.24297586
                                d =    -0.01376755 f =    -0.00357572
                                ns     -0.00002964
     single particle energies  spin  up    
         core   contribution :  s = -2756.25653656 p = -1152.33598314
                                d =  -210.93966351
       valence  contribution :  s =    -0.70901259 p =    -0.33621597
                                d =    -0.01504420 f =    -0.00383532
                                ns      0.00013555
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32257600
                                   band energy per atom :   -1.9477189512

     coulomb  contribution :   0   5307.43593005  1      0.00097130
                               2     -0.00097185  3     -0.00364415
                               4     -0.00461645  5      0.00042207
                               6     -0.00001218
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.42807880

     ex.-cor. contribution :   0   -339.89435376  1      0.01199375
                               2     -0.00392754  3     -0.01366480
                               4     -0.01404525  5      0.00204537
                               6     -0.00003536
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91198759

     eff. pot. contribution     : -10309.69664569
     total double counting contribution                 :  -5342.18055448

   Total contribution of atom 20 =-13580.50313048
   Total energies atom  21
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.78945979 p = -1151.28394492
                                d =  -209.76926910
       valence  contribution :  s =    -0.62339765 p =    -0.24297586
                                d =    -0.01376755 f =    -0.00357572
                                ns     -0.00002964
     single particle energies  spin  up    
         core   contribution :  s = -2756.25653658 p = -1152.33598315
                                d =  -210.93966351
       valence  contribution :  s =    -0.70901259 p =    -0.33621597
                                d =    -0.01504420 f =    -0.00383532
                                ns      0.00013555
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8238.32257600
                                   band energy per atom :   -1.9477189527

     coulomb  contribution :   0   5307.43593000  1      0.00097130
                               2     -0.00097185  3     -0.00364415
                               4     -0.00461645  5      0.00042207
                               6     -0.00001218
     --------------------------------------------------------------------
     tot. coulomb contribution :   5307.42807875

     ex.-cor. contribution :   0   -339.89435374  1      0.01199375
                               2     -0.00392755  3     -0.01366661
                               4     -0.01404254  5      0.00204537
                               6     -0.00003536
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.91198669

     eff. pot. contribution     : -10309.69664560
     total double counting contribution                 :  -5342.18055354

   Total contribution of atom 21 =-13580.50312954
   Total energies atom  22
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74533709 p = -1151.18123645
                                d =  -209.64356471
       valence  contribution :  s =    -0.60644278 p =    -0.22359133
                                d =    -0.01203894 f =    -0.00323902
                                ns     -0.00940744
     single particle energies  spin  up    
         core   contribution :  s = -2756.21245836 p = -1152.23342716
                                d =  -210.81519914
       valence  contribution :  s =    -0.69537822 p =    -0.32059713
                                d =    -0.01331144 f =    -0.00351940
                                ns     -0.00996677
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72871539
                                   band energy per atom :   -1.8974924680

     coulomb  contribution :   0   5319.32375680  1      0.00001294
                               2     -0.00264892  3     -0.00000141
                               4     -0.00572995  5      0.00000069
                               6      0.00000116
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.31539132

     ex.-cor. contribution :   0   -339.91929371  1     -0.00001814
                               2     -0.00982664  3     -0.00051004
                               4     -0.04279115  5     -0.00000020
                               6      0.00016293
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.97227695

     eff. pot. contribution     : -10322.27162759
     total double counting contribution                 :  -5342.92851322

   Total contribution of atom 22 =-13580.65722861
   Total energies atom  23
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74526611 p = -1151.18107712
                                d =  -209.64338895
       valence  contribution :  s =    -0.60642881 p =    -0.22357751
                                d =    -0.01203838 f =    -0.00323851
                                ns     -0.00940841
     single particle energies  spin  up    
         core   contribution :  s = -2756.21238729 p = -1152.23326730
                                d =  -210.81502238
       valence  contribution :  s =    -0.69536357 p =    -0.32057361
                                d =    -0.01331188 f =    -0.00351932
                                ns     -0.00996710
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72783625
                                   band energy per atom :   -1.8974271012

     coulomb  contribution :   0   5319.32093743  1      0.00001289
                               2     -0.00264768  3     -0.00000141
                               4     -0.00572954  5      0.00000068
                               6      0.00000114
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.31257352

     ex.-cor. contribution :   0   -339.91922749  1     -0.00001816
                               2     -0.00982784  3     -0.00053351
                               4     -0.04272010  5     -0.00000020
                               6      0.00016301
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.97216431

     eff. pot. contribution     : -10322.26976191
     total double counting contribution                 :  -5342.92935269

   Total contribution of atom 23 =-13580.65718894
   Total energies atom  24
   -----------------------
     single particle energies  spin down   
         core   contribution :  s = -2755.74526613 p = -1151.18107713
                                d =  -209.64338895
       valence  contribution :  s =    -0.60642881 p =    -0.22357751
                                d =    -0.01203838 f =    -0.00323851
                                ns     -0.00940841
     single particle energies  spin  up    
         core   contribution :  s = -2756.21238723 p = -1152.23326730
                                d =  -210.81502238
       valence  contribution :  s =    -0.69536357 p =    -0.32057361
                                d =    -0.01331188 f =    -0.00351932
                                ns     -0.00996710
     --------------------------------------------------------------------
     total contribution of the single particle energies :  -8237.72783623
                                   band energy per atom :   -1.8974271022

     coulomb  contribution :   0   5319.32093744  1      0.00001289
                               2     -0.00264768  3     -0.00000141
                               4     -0.00572954  5      0.00000068
                               6      0.00000114
     --------------------------------------------------------------------
     tot. coulomb contribution :   5319.31257353

     ex.-cor. contribution :   0   -339.91922748  1     -0.00001816
                               2     -0.00982774  3     -0.00053490
                               4     -0.04271701  5     -0.00000020
                               6      0.00016301
     --------------------------------------------------------------------
     tot. ex.-cor. contribution :   -339.97216249

     eff. pot. contribution     : -10322.26976191
     total double counting contribution                 :  -5342.92935087

   Total contribution of atom 24 =-13580.65718710
                                   sum of band energies :  -31.7871913100
   ----------------------------------------------------------------------

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.40717266
                                eV  : -3231124.52970977
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
25.03.2020 20:42:15:  <<<<<<<<<<<<<<<<<<< end ETOTB1 <<<<<<<<<<<<<<<<<<<
25.03.2020 20:42:15:  send stop signal
25.03.2020 20:42:15:  received stop signal: exiting scf cycle
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> mpi_finalize >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>> end program >>>>>>>>>>>>>>>>>>>>>
25.03.2020 20:42:15:  >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
