  **************************************************************************
  **************************************************************************
                                KKR FLEX IMPURITY CODE
                          Version: JuKKR_v3.1-1688-gd73dc5b_intel_20200325193419
  **************************************************************************
  **************************************************************************
  ###############################################
  ##########   MPI Initialization    ############
  ###############################################
  ###    using           48  processors
  ###############################################
 my_rank=1 reads kkrflex_green and communicates to other processes
  ###############################################
  ###    Starting pre dyson energy loop
  ###############################################
  ###############################################
 Proc =            0 ie=            1  ..            2
 Proc =            1 ie=            3  ..            4
 Proc =            2 ie=            5  ..            6
 Proc =            8 ie=           17  ..           18
 Proc =           16 ie=           29  ..           29
 Proc =           17 ie=           30  ..           30
 Proc =           36 ie=           49  ..           49
 Proc =           38 ie=           51  ..           51
 Proc =           39 ie=           52  ..           52
 Proc =           41 ie=           54  ..           54
 Proc =           44 ie=           57  ..           57
 Proc =            3 ie=            7  ..            8
 Proc =            9 ie=           19  ..           20
 Proc =           10 ie=           21  ..           22
 Proc =           11 ie=           23  ..           24
 Proc =           12 ie=           25  ..           25
 Proc =           13 ie=           26  ..           26
 Proc =           14 ie=           27  ..           27
 Proc =           15 ie=           28  ..           28
 Proc =           18 ie=           31  ..           31
 Proc =           19 ie=           32  ..           32
 Proc =           24 ie=           37  ..           37
 Proc =           25 ie=           38  ..           38
 Proc =           26 ie=           39  ..           39
 Proc =           27 ie=           40  ..           40
 Proc =           28 ie=           41  ..           41
 Proc =           29 ie=           42  ..           42
 Proc =           30 ie=           43  ..           43
 Proc =           31 ie=           44  ..           44
 Proc =           32 ie=           45  ..           45
 Proc =           33 ie=           46  ..           46
 Proc =           34 ie=           47  ..           47
 Proc =           35 ie=           48  ..           48
 Proc =           37 ie=           50  ..           50
 Proc =           40 ie=           53  ..           53
 Proc =           42 ie=           55  ..           55
 Proc =           43 ie=           56  ..           56
 Proc =           45 ie=           58  ..           58
 Proc =           46 ie=           59  ..           59
 Proc =           47 ie=           60  ..           60
 Proc =           20 ie=           33  ..           33
 Proc =           21 ie=           34  ..           34
 Proc =           22 ie=           35  ..           35
 Proc =           23 ie=           36  ..           36
 Proc =            6 ie=           13  ..           14
 Proc =            7 ie=           15  ..           16
 Proc =            4 ie=            9  ..           10
 Proc =            5 ie=           11  ..           12
Found option LLYsimple: reading in renormalization factor from file kkrflex_llyfac
 Renormalize weights with factor: (0.994380791000000,0.000000000000000E+000)
 ****************************************************************
 using LDA (Vosko-Wilk-Nusair)
 ****************************************************************
  Iteration Number            1
 [read_potential] angle file does not exist
                  setting all starting angles to zero
   ###############################################
 Initial angles for non-collinear calculation
   ###############################################
         iatom      theta               phi                  moment fixed
  ###############################################
  ###    Starting energy loop
  ###############################################
[energyloop] proc=  40 Energy ie=  53 to  53 ( 1 energies)
[energyloop] proc=   4 Energy ie=   9 to  10 ( 2 energies)
[energyloop] proc=   5 Energy ie=  11 to  12 ( 2 energies)
[energyloop] proc=   7 Energy ie=  15 to  16 ( 2 energies)
[energyloop] proc=  12 Energy ie=  25 to  25 ( 1 energies)
[energyloop] proc=  13 Energy ie=  26 to  26 ( 1 energies)
[energyloop] proc=  17 Energy ie=  30 to  30 ( 1 energies)
[energyloop] proc=  22 Energy ie=  35 to  35 ( 1 energies)
[energyloop] proc=  31 Energy ie=  44 to  44 ( 1 energies)
[energyloop] proc=  36 Energy ie=  49 to  49 ( 1 energies)
[energyloop] proc=  37 Energy ie=  50 to  50 ( 1 energies)
[energyloop] proc=   0 Energy ie=   1 to   2 ( 2 energies)
[energyloop] proc=   2 Energy ie=   5 to   6 ( 2 energies)
[energyloop] proc=   3 Energy ie=   7 to   8 ( 2 energies)
[energyloop] proc=   6 Energy ie=  13 to  14 ( 2 energies)
[energyloop] proc=   8 Energy ie=  17 to  18 ( 2 energies)
[energyloop] proc=   9 Energy ie=  19 to  20 ( 2 energies)
[energyloop] proc=  10 Energy ie=  21 to  22 ( 2 energies)
[energyloop] proc=  11 Energy ie=  23 to  24 ( 2 energies)
[energyloop] proc=  14 Energy ie=  27 to  27 ( 1 energies)
[energyloop] proc=  15 Energy ie=  28 to  28 ( 1 energies)
[energyloop] proc=  16 Energy ie=  29 to  29 ( 1 energies)
[energyloop] proc=  18 Energy ie=  31 to  31 ( 1 energies)
[energyloop] proc=  19 Energy ie=  32 to  32 ( 1 energies)
[energyloop] proc=  20 Energy ie=  33 to  33 ( 1 energies)
[energyloop] proc=  21 Energy ie=  34 to  34 ( 1 energies)
[energyloop] proc=  23 Energy ie=  36 to  36 ( 1 energies)
[energyloop] proc=  24 Energy ie=  37 to  37 ( 1 energies)
[energyloop] proc=  25 Energy ie=  38 to  38 ( 1 energies)
[energyloop] proc=  26 Energy ie=  39 to  39 ( 1 energies)
[energyloop] proc=  27 Energy ie=  40 to  40 ( 1 energies)
[energyloop] proc=  28 Energy ie=  41 to  41 ( 1 energies)
[energyloop] proc=  29 Energy ie=  42 to  42 ( 1 energies)
[energyloop] proc=  30 Energy ie=  43 to  43 ( 1 energies)
[energyloop] proc=  33 Energy ie=  46 to  46 ( 1 energies)
[energyloop] proc=  34 Energy ie=  47 to  47 ( 1 energies)
[energyloop] proc=  35 Energy ie=  48 to  48 ( 1 energies)
[energyloop] proc=  38 Energy ie=  51 to  51 ( 1 energies)
[energyloop] proc=  39 Energy ie=  52 to  52 ( 1 energies)
[energyloop] proc=  41 Energy ie=  54 to  54 ( 1 energies)
[energyloop] proc=  42 Energy ie=  55 to  55 ( 1 energies)
[energyloop] proc=  43 Energy ie=  56 to  56 ( 1 energies)
[energyloop] proc=  44 Energy ie=  57 to  57 ( 1 energies)
[energyloop] proc=  46 Energy ie=  59 to  59 ( 1 energies)
[energyloop] proc=  47 Energy ie=  60 to  60 ( 1 energies)
[energyloop] proc=   1 Energy ie=   3 to   4 ( 2 energies)
[energyloop] proc=  45 Energy ie=  58 to  58 ( 1 energies)
[energyloop] proc=  32 Energy ie=  45 to  45 ( 1 energies)
 [read_spinorbit] no kkrflex_spinorbitperatom exists
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.566934193945278E-011 -1.382279649256310E-010
  4.173510602111552E-002
 magnetic moment2 is  -8.566827003486310E-011 -1.382188147189448E-010
  7.285877943005302E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.683322270977118E-011  6.580993702533737E-005
  1.212483888139015E-002
 magnetic moment2 is  -2.683322270977118E-011  6.580993702533737E-005
  2.090504903995594E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.699304233657371E-005 -3.290500162927608E-005
  1.212483903734263E-002
 magnetic moment2 is   5.699304233657371E-005 -3.290500162927608E-005
  2.090505059948178E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.699298085772061E-005 -3.290493222831698E-005
  1.212484002299885E-002
 magnetic moment2 is  -5.699298085772061E-005 -3.290493222831698E-005
  2.090506045604290E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.512117361881080E-012 -2.813717146739570E-004
  9.790403280963811E-003
 magnetic moment2 is  -8.512117361881080E-012 -2.813717146739570E-004
 -9.963820630357750E-004
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.436750496617268E-004  1.406858451557645E-004
  9.790403531420577E-003
 magnetic moment2 is  -2.436750496617268E-004  1.406858451557645E-004
 -9.963818125792098E-004
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.436750705320883E-004  1.406858607131666E-004
  9.790403895460598E-003
 magnetic moment2 is   2.436750705320883E-004  1.406858607131666E-004
 -9.963814485392172E-004
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.725158394920167E-011 -4.211541531933467E-011
  8.038659154106065E-003
 magnetic moment2 is  -3.725158394920167E-011 -4.211541531933467E-011
 -2.727286245511079E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.120422495016690E-010 -1.004698254088871E-004
  3.676127576465227E-002
 magnetic moment2 is   1.120422273297346E-010 -1.004698254088880E-004
 -3.059046912520236E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.700937419583491E-005  5.023497627690477E-005
  3.676127682322883E-002
 magnetic moment2 is  -8.700937419585709E-005  5.023497627690390E-005
 -3.059045853943371E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.700948886866856E-005  5.023496616316718E-005
  3.676128085572428E-002
 magnetic moment2 is   8.700948886864642E-005  5.023496616316626E-005
 -3.059041821448172E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.759215025049242E-012 -9.638831065384019E-012
  8.055598758698324E-003
 magnetic moment2 is  -9.759215025049242E-012 -9.638831065384019E-012
 -1.978733218793022E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.461011412425952E-011  3.466606839673957E-004
  3.866121028515757E-002
 magnetic moment2 is   2.461021998982540E-011  3.466606839490277E-004
  2.332203082014511E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.002169734321387E-004 -1.733303054288043E-004
  3.866121045879956E-002
 magnetic moment2 is   3.002169734322445E-004 -1.733303054471721E-004
  2.332203255655668E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.002169767568372E-004 -1.733303306128691E-004
  3.866121102838216E-002
 magnetic moment2 is  -3.002169767567313E-004 -1.733303306312369E-004
  2.332203825239118E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.167386795936222E-005  6.538665382357063E-005
  3.412600931230436E-002
 magnetic moment2 is   2.167386795931147E-005  6.538665382356458E-005
 -2.202997018160832E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.746343201496723E-005 -1.392322185784379E-005
  3.412600937439514E-002
 magnetic moment2 is   6.746343201491646E-005 -1.392322185784982E-005
 -2.202996956069597E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.746336733707997E-005 -1.392321926197691E-005
  3.412600940381516E-002
 magnetic moment2 is  -6.746336733713069E-005 -1.392321926198293E-005
 -2.202996926649728E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.167383369458497E-005  6.538659023409900E-005
  3.412600921196862E-002
 magnetic moment2 is  -2.167383369463569E-005  6.538659023409295E-005
 -2.202997118496933E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.578953165660948E-005 -5.146336766995553E-005
  3.412600907227414E-002
 magnetic moment2 is   4.578953165655876E-005 -5.146336766996153E-005
 -2.202997258190259E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.578953557149273E-005 -5.146335935701217E-005
  3.412600921073805E-002
 magnetic moment2 is  -4.578953557154347E-005 -5.146335935701823E-005
 -2.202997119726505E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.786868151510410E-012 -5.269714121564950E-005
  3.515204004107186E-002
 magnetic moment2 is  -1.786888017397639E-012 -5.269714121564770E-005
 -3.887494428539501E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.563707969297003E-005  2.634860389649527E-005
  3.515203981804582E-002
 magnetic moment2 is  -4.563707969298988E-005  2.634860389649705E-005
 -3.887494651565307E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.563712820069471E-005  2.634863222110984E-005
  3.515203920127741E-002
 magnetic moment2 is   4.563712820067483E-005  2.634863222111163E-005
 -3.887495268334068E-003
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
  0.00000 -0.00000  0.00000 -0.00000 -0.00562  0.00668
 Orbital moments are: 
 -0.00000  0.00000 -0.00016  0.00020  0.00174 -0.00078
 Orbital moments are: 
 -0.00014  0.00017  0.00008 -0.00010  0.00174 -0.00078
 Orbital moments are: 
  0.00014 -0.00017  0.00008 -0.00010  0.00174 -0.00078
 Orbital moments are: 
 -0.00000  0.00000 -0.00019  0.00022  0.00033  0.00001
 Orbital moments are: 
 -0.00017  0.00019  0.00010 -0.00011  0.00033  0.00001
 Orbital moments are: 
  0.00017 -0.00019  0.00010 -0.00011  0.00033  0.00001
 Orbital moments are: 
 -0.00000  0.00000 -0.00000  0.00000 -0.00038  0.00048
 Orbital moments are: 
 -0.00000 -0.00000 -0.00040 -0.00057 -0.02039  0.00102
 Orbital moments are: 
 -0.00035 -0.00050  0.00020  0.00029 -0.02039  0.00102
 Orbital moments are: 
  0.00035  0.00050  0.00020  0.00029 -0.02039  0.00102
 Orbital moments are: 
  0.00000 -0.00000  0.00000 -0.00000  0.00020  0.00052
 Orbital moments are: 
 -0.00000  0.00000  0.00001  0.00013 -0.00383 -0.00015
 Orbital moments are: 
  0.00001  0.00012 -0.00001 -0.00007 -0.00383 -0.00015
 Orbital moments are: 
 -0.00001 -0.00012 -0.00001 -0.00007 -0.00383 -0.00015
 Orbital moments are: 
  0.00000  0.00053 -0.00020  0.00025 -0.00361  0.00031
 Orbital moments are: 
 -0.00017  0.00048  0.00010  0.00034 -0.00361  0.00031
 Orbital moments are: 
  0.00017 -0.00048  0.00010  0.00034 -0.00361  0.00031
 Orbital moments are: 
 -0.00000 -0.00053 -0.00020  0.00025 -0.00361  0.00031
 Orbital moments are: 
 -0.00018 -0.00005  0.00010 -0.00059 -0.00361  0.00031
 Orbital moments are: 
  0.00018  0.00005  0.00010 -0.00059 -0.00361  0.00031
 Orbital moments are: 
  0.00000 -0.00000  0.00005  0.00036 -0.00320 -0.00081
 Orbital moments are: 
  0.00004  0.00031 -0.00003 -0.00018 -0.00320 -0.00081
 Orbital moments are: 
 -0.00004 -0.00031 -0.00003 -0.00018 -0.00320 -0.00081
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    78.777087    spin moment =    0.041735
Atom     2:          charge in WS-cell =     1.485602    spin moment =    0.012125
Atom     3:          charge in WS-cell =     1.485602    spin moment =    0.012125
Atom     4:          charge in WS-cell =     1.485602    spin moment =    0.012125
Atom     5:          charge in WS-cell =     1.098280    spin moment =    0.009790
Atom     6:          charge in WS-cell =     1.098280    spin moment =    0.009790
Atom     7:          charge in WS-cell =     1.098280    spin moment =    0.009790
Atom     8:          charge in WS-cell =     1.361933    spin moment =    0.008039
Atom     9:          charge in WS-cell =    49.740591    spin moment =    0.036761
Atom    10:          charge in WS-cell =    49.740591    spin moment =    0.036761
Atom    11:          charge in WS-cell =    49.740591    spin moment =    0.036761
Atom    12:          charge in WS-cell =     1.363756    spin moment =    0.008056
Atom    13:          charge in WS-cell =    50.611748    spin moment =    0.038661
Atom    14:          charge in WS-cell =    50.611748    spin moment =    0.038661
Atom    15:          charge in WS-cell =    50.611748    spin moment =    0.038661
Atom    16:          charge in WS-cell =    50.617543    spin moment =    0.034126
Atom    17:          charge in WS-cell =    50.617543    spin moment =    0.034126
Atom    18:          charge in WS-cell =    50.617543    spin moment =    0.034126
Atom    19:          charge in WS-cell =    50.617543    spin moment =    0.034126
Atom    20:          charge in WS-cell =    50.617543    spin moment =    0.034126
Atom    21:          charge in WS-cell =    50.617543    spin moment =    0.034126
Atom    22:          charge in WS-cell =    50.708423    spin moment =    0.035152
Atom    23:          charge in WS-cell =    50.708423    spin moment =    0.035152
Atom    24:          charge in WS-cell =    50.708423    spin moment =    0.035152
                    TOTAL mag. moment in unit cell =     0.660054
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   1 average rms-error : v+ + v- =  9.5526D-01
                                        v+ - v- =  5.2151D-03

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237483.14658822
                                eV  : -3231148.19584996
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            2
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.050436605116704E-010  3.530006071754612E-007
  6.191776377089653E-002
 magnetic moment2 is  -1.050443512765945E-010  3.530006087753191E-007
 -1.662476879054104E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.835143075930149E-012  2.260112214770998E-004
  1.697899685401671E-002
 magnetic moment2 is   9.835143075930149E-012  2.260112214770998E-004
 -1.413155977784214E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.960191230054584E-004 -1.129118179191230E-004
  1.697970727421549E-002
 magnetic moment2 is   1.960191230054584E-004 -1.129118179191230E-004
 -1.412444321393397E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.960191031458167E-004 -1.129118155730608E-004
  1.697970818438999E-002
 magnetic moment2 is  -1.960191031458167E-004 -1.129118155730608E-004
 -1.412443433001259E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.797924044450973E-011 -3.934715013684102E-004
  1.580582328852043E-002
 magnetic moment2 is  -3.797924044450973E-011 -3.934715013684102E-004
 -4.080051473604948E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.408472874660060E-004  1.967745618668528E-004
  1.580342145440361E-002
 magnetic moment2 is  -3.408472874660060E-004  1.967745618668528E-004
 -4.082452594210022E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.408473186471869E-004  1.967746041637378E-004
  1.580342214953923E-002
 magnetic moment2 is   3.408473186471869E-004  1.967746041637378E-004
 -4.082451905996473E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.738022577248440E-011  5.672687166579697E-008
  1.493000983774051E-002
 magnetic moment2 is  -1.738022577248440E-011  5.672687166579697E-008
 -4.983454713818086E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.701318739550297E-011 -2.572042756795515E-004
  5.796552883223605E-002
 magnetic moment2 is  -2.701582895245228E-011 -2.574007896797986E-004
 -1.960206364763961E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.231266925903345E-004  1.288040657977807E-004
  5.795930338293931E-002
 magnetic moment2 is  -2.232968786947969E-004  1.289023200803750E-004
 -1.960828830204958E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.231266286649642E-004  1.288039912305232E-004
  5.795930674523264E-002
 magnetic moment2 is   2.232968147796476E-004  1.289022455062714E-004
 -1.960828495690184E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.794230189634642E-012  1.728474531169616E-008
  1.588406643156659E-002
 magnetic moment2 is   2.794230189634642E-012  1.728474531169616E-008
 -2.835183222147097E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.851416095024916E-011  3.198113223163795E-004
  7.647945403266254E-002
 magnetic moment2 is   4.851366256961552E-011  3.198551636735285E-004
  4.655526586354944E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.771113310006918E-004 -1.600119385445122E-004
  7.647817911807797E-002
 magnetic moment2 is   2.771494334329056E-004 -1.600345426041436E-004
  4.654249687505774E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.771113469406820E-004 -1.600119953515655E-004
  7.647817955370506E-002
 magnetic moment2 is  -2.771494493763778E-004 -1.600345994111812E-004
  4.654250121881420E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.912805024287616E-004  2.978080030179987E-004
  6.702289525350391E-002
 magnetic moment2 is  -2.912697768710550E-004  2.977881782672970E-004
 -4.712675478989639E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.122955534961537E-004 -4.011866224293018E-004
  6.702055707389043E-002
 magnetic moment2 is   1.122839575890848E-004 -4.011673336831592E-004
 -4.715021637234973E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.122955308796844E-004 -4.011865610750990E-004
  6.702055739797874E-002
 magnetic moment2 is  -1.122839349724536E-004 -4.011672723296379E-004
 -4.715021311721079E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.912805035254473E-004  2.978079654289739E-004
  6.702289533085004E-002
 magnetic moment2 is   2.912697779660372E-004  2.977881406796484E-004
 -4.712675397853694E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.034546474926647E-004  1.033314662971132E-004
  6.702651676745131E-002
 magnetic moment2 is   4.034318734085634E-004  1.033319567741755E-004
 -4.709057244583384E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.034546207115522E-004  1.033314597091796E-004
  6.702651699835505E-002
 magnetic moment2 is  -4.034318466279531E-004  1.033319501853897E-004
 -4.709057016207371E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.299401701892306E-011 -1.267788998181436E-004
  7.034000855092204E-002
 magnetic moment2 is  -1.300797941515791E-011 -1.267799700018000E-004
 -6.609377761478102E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.093639353162194E-004  6.326592081775649E-005
  7.033830855973866E-002
 magnetic moment2 is  -1.093635448669994E-004  6.326569539176250E-005
 -6.611094496316500E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.093639785346080E-004  6.326594190732285E-005
  7.033830832237875E-002
 magnetic moment2 is   1.093635880853238E-004  6.326571648140589E-005
 -6.611094728644323E-003
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00000  0.00000  0.01074  0.00447
 Orbital moments are: 
  0.00000  0.00000  0.00020  0.00037 -0.00036 -0.00084
 Orbital moments are: 
  0.00017  0.00032 -0.00010 -0.00018 -0.00036 -0.00084
 Orbital moments are: 
 -0.00017 -0.00032 -0.00010 -0.00018 -0.00036 -0.00084
 Orbital moments are: 
  0.00000 -0.00000  0.00015  0.00039  0.00023  0.00010
 Orbital moments are: 
  0.00013  0.00034 -0.00007 -0.00019  0.00023  0.00010
 Orbital moments are: 
 -0.00013 -0.00034 -0.00007 -0.00019  0.00023  0.00010
 Orbital moments are: 
  0.00000  0.00000  0.00000  0.00000 -0.00010  0.00107
 Orbital moments are: 
 -0.00000  0.00000 -0.00114 -0.00004 -0.05011  0.00314
 Orbital moments are: 
 -0.00099 -0.00004  0.00057  0.00002 -0.05011  0.00314
 Orbital moments are: 
  0.00099  0.00004  0.00057  0.00002 -0.05011  0.00314
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00034  0.00098
 Orbital moments are: 
  0.00000  0.00000 -0.00004  0.00019 -0.00795 -0.00017
 Orbital moments are: 
 -0.00003  0.00016  0.00002 -0.00009 -0.00795 -0.00017
 Orbital moments are: 
  0.00003 -0.00016  0.00002 -0.00009 -0.00795 -0.00017
 Orbital moments are: 
  0.00085  0.00033 -0.00025  0.00002 -0.00688  0.00007
 Orbital moments are: 
  0.00020  0.00018  0.00086  0.00028 -0.00688  0.00007
 Orbital moments are: 
 -0.00020 -0.00018  0.00086  0.00028 -0.00688  0.00007
 Orbital moments are: 
 -0.00085 -0.00033 -0.00025  0.00002 -0.00688  0.00007
 Orbital moments are: 
 -0.00064 -0.00015 -0.00061 -0.00030 -0.00688  0.00007
 Orbital moments are: 
  0.00064  0.00015 -0.00061 -0.00030 -0.00688  0.00007
 Orbital moments are: 
  0.00000 -0.00000 -0.00026  0.00052 -0.00573 -0.00138
 Orbital moments are: 
 -0.00023  0.00045  0.00013 -0.00026 -0.00573 -0.00138
 Orbital moments are: 
  0.00023 -0.00045  0.00013 -0.00026 -0.00573 -0.00138
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    78.438300    spin moment =    0.061918
Atom     2:          charge in WS-cell =     1.412023    spin moment =    0.016979
Atom     3:          charge in WS-cell =     1.411786    spin moment =    0.016980
Atom     4:          charge in WS-cell =     1.411786    spin moment =    0.016980
Atom     5:          charge in WS-cell =     1.047280    spin moment =    0.015806
Atom     6:          charge in WS-cell =     1.047270    spin moment =    0.015803
Atom     7:          charge in WS-cell =     1.047270    spin moment =    0.015803
Atom     8:          charge in WS-cell =     1.318203    spin moment =    0.014930
Atom     9:          charge in WS-cell =    49.602836    spin moment =    0.057966
Atom    10:          charge in WS-cell =    49.602715    spin moment =    0.057959
Atom    11:          charge in WS-cell =    49.602715    spin moment =    0.057959
Atom    12:          charge in WS-cell =     1.326101    spin moment =    0.015884
Atom    13:          charge in WS-cell =    50.510311    spin moment =    0.076479
Atom    14:          charge in WS-cell =    50.510253    spin moment =    0.076478
Atom    15:          charge in WS-cell =    50.510253    spin moment =    0.076478
Atom    16:          charge in WS-cell =    50.544683    spin moment =    0.067023
Atom    17:          charge in WS-cell =    50.544713    spin moment =    0.067021
Atom    18:          charge in WS-cell =    50.544713    spin moment =    0.067021
Atom    19:          charge in WS-cell =    50.544683    spin moment =    0.067023
Atom    20:          charge in WS-cell =    50.544702    spin moment =    0.067027
Atom    21:          charge in WS-cell =    50.544702    spin moment =    0.067027
Atom    22:          charge in WS-cell =    50.641182    spin moment =    0.070340
Atom    23:          charge in WS-cell =    50.641194    spin moment =    0.070338
Atom    24:          charge in WS-cell =    50.641194    spin moment =    0.070338
                    TOTAL mag. moment in unit cell =     1.207559
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   2 average rms-error : v+ + v- =  5.0097D-01
                                        v+ - v- =  1.0323D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.12907129
                                eV  : -3231120.74591810
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            3
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.765215669394673E-011  4.861109099986868E-007
  8.934566299202817E-002
 magnetic moment2 is  -3.765295277029185E-011  4.861109053328389E-007
 -4.390432874780192E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.841917933761340E-011  3.435597350103777E-004
  2.201099344762925E-002
 magnetic moment2 is   4.841917933761340E-011  3.435597350103777E-004
 -4.153852156127930E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.982037123638940E-004 -1.716076666231699E-004
  2.201267702003062E-002
 magnetic moment2 is   2.982037123638940E-004 -1.716076666231699E-004
 -4.152425407479815E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.982036545851491E-004 -1.716076901395853E-004
  2.201267762677506E-002
 magnetic moment2 is  -2.982036545851491E-004 -1.716076901395853E-004
 -4.152424853569814E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.242268957314275E-011 -4.330326083846996E-004
  2.171626975801366E-002
 magnetic moment2 is  -2.242268957314275E-011 -4.330326083846996E-004
 -6.723302529104871E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.752746832581280E-004  2.165558956645012E-004
  2.171021616959989E-002
 magnetic moment2 is  -3.752746832581280E-004  2.165558956645012E-004
 -6.729207798175214E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.752747196581932E-004  2.165559219948148E-004
  2.171021684801933E-002
 magnetic moment2 is   3.752747196581932E-004  2.165559219948148E-004
 -6.729207142779532E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.813186066794690E-012  3.115729926838339E-008
  2.150342907559033E-002
 magnetic moment2 is  -8.813186066794690E-012  3.115729926838339E-008
 -7.042475722098818E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.121056679019745E-010 -5.722337999350334E-004
  7.788828436706519E-002
 magnetic moment2 is  -1.121102257523824E-010 -5.728307408673723E-004
 -3.582042642359567E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.964834231536211E-004  2.864358795127531E-004
  7.787776617862630E-002
 magnetic moment2 is  -4.970004274044129E-004  2.867342925822513E-004
 -3.583094013959431E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.964834384666739E-004  2.864358993569670E-004
  7.787776841663341E-002
 magnetic moment2 is   4.970004427457702E-004  2.867343124087749E-004
 -3.583093793785119E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.070307434440793E-012  2.165597837964132E-008
  2.348017498533772E-002
 magnetic moment2 is   9.070307434440793E-012  2.165597837964132E-008
 -3.508584546209115E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.112712624143548E-011  2.375299571523066E-004
  0.113844195203624     
 magnetic moment2 is   5.112653573072223E-011  2.376116377165916E-004
  7.754987544033226E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.058673391757710E-004 -1.189563731789051E-004
  0.113840478891667     
 magnetic moment2 is   2.059386709163450E-004 -1.189988502957589E-004
  7.751300988487211E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.058673294199428E-004 -1.189564180811187E-004
  0.113840479325933     
 magnetic moment2 is  -2.059386611691766E-004 -1.189988951980993E-004
  7.751301421873066E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.965003436305047E-004  4.186564397879567E-004
  0.100137588531449     
 magnetic moment2 is  -3.964773536605607E-004  4.186122276856698E-004
 -5.733400846256509E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.644700874259044E-004 -5.526816130523481E-004
  0.100132052439311     
 magnetic moment2 is   1.644438041552756E-004 -5.526393427820659E-004
 -5.738995394544089E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.644700549971524E-004 -5.526815108194675E-004
  0.100132053028417     
 magnetic moment2 is  -1.644437717282942E-004 -5.526392405507264E-004
 -5.738994803010794E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.965003602934478E-004  4.186563814335095E-004
  0.100137588453204     
 magnetic moment2 is   3.964773703189455E-004  4.186121693344342E-004
 -5.733400917619369E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.603399281851093E-004  1.339848688481375E-004
  0.100146981219897     
 magnetic moment2 is   5.602894763474481E-004  1.339861863378629E-004
 -5.724049749279564E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.603398734438209E-004  1.339848374191309E-004
  0.100146981847312     
 magnetic moment2 is  -5.602894216083544E-004  1.339861549075284E-004
 -5.724049126466457E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.207502391270640E-012 -2.656794763842932E-004
  0.105193769352668     
 magnetic moment2 is  -5.230449980872824E-012 -2.656718793067259E-004
 -8.306902543662009E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.288875857472428E-004  1.325853885213303E-004
  0.105184416639780     
 magnetic moment2 is  -2.288862128347813E-004  1.325845960521916E-004
 -8.316311345883259E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.288876386911009E-004  1.325853918657745E-004
  0.105184416818120     
 magnetic moment2 is   2.288862657785034E-004  1.325845993968190E-004
 -8.316311160020060E-003
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00000  0.00000  0.01950 -0.00103
 Orbital moments are: 
  0.00000  0.00000  0.00037  0.00042 -0.00074 -0.00034
 Orbital moments are: 
  0.00032  0.00037 -0.00019 -0.00021 -0.00074 -0.00035
 Orbital moments are: 
 -0.00032 -0.00037 -0.00019 -0.00021 -0.00074 -0.00035
 Orbital moments are: 
  0.00000 -0.00000  0.00028  0.00045  0.00032  0.00023
 Orbital moments are: 
  0.00024  0.00039 -0.00014 -0.00023  0.00032  0.00023
 Orbital moments are: 
 -0.00024 -0.00039 -0.00014 -0.00023  0.00032  0.00023
 Orbital moments are: 
 -0.00000 -0.00000  0.00000  0.00000 -0.00008  0.00148
 Orbital moments are: 
 -0.00000 -0.00000 -0.00141  0.00014 -0.08171  0.00480
 Orbital moments are: 
 -0.00122  0.00012  0.00071 -0.00007 -0.08171  0.00480
 Orbital moments are: 
  0.00122 -0.00012  0.00071 -0.00007 -0.08171  0.00480
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00051  0.00146
 Orbital moments are: 
  0.00000  0.00000 -0.00006  0.00030 -0.01194 -0.00010
 Orbital moments are: 
 -0.00005  0.00026  0.00003 -0.00015 -0.01194 -0.00010
 Orbital moments are: 
  0.00005 -0.00026  0.00003 -0.00015 -0.01194 -0.00010
 Orbital moments are: 
  0.00117  0.00015 -0.00061  0.00006 -0.01029 -0.00004
 Orbital moments are: 
  0.00005  0.00012  0.00132  0.00010 -0.01029 -0.00004
 Orbital moments are: 
 -0.00005 -0.00012  0.00132  0.00010 -0.01029 -0.00004
 Orbital moments are: 
 -0.00117 -0.00015 -0.00061  0.00006 -0.01029 -0.00004
 Orbital moments are: 
 -0.00111 -0.00003 -0.00070 -0.00016 -0.01029 -0.00004
 Orbital moments are: 
  0.00111  0.00003 -0.00070 -0.00016 -0.01029 -0.00004
 Orbital moments are: 
  0.00000 -0.00000 -0.00061  0.00089 -0.00792 -0.00231
 Orbital moments are: 
 -0.00053  0.00076  0.00031 -0.00044 -0.00793 -0.00230
 Orbital moments are: 
  0.00053 -0.00076  0.00031 -0.00044 -0.00793 -0.00230
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    78.218961    spin moment =    0.089346
Atom     2:          charge in WS-cell =     1.383190    spin moment =    0.022011
Atom     3:          charge in WS-cell =     1.382798    spin moment =    0.022013
Atom     4:          charge in WS-cell =     1.382798    spin moment =    0.022013
Atom     5:          charge in WS-cell =     1.026650    spin moment =    0.021716
Atom     6:          charge in WS-cell =     1.026632    spin moment =    0.021710
Atom     7:          charge in WS-cell =     1.026632    spin moment =    0.021710
Atom     8:          charge in WS-cell =     1.301007    spin moment =    0.021503
Atom     9:          charge in WS-cell =    49.552265    spin moment =    0.077888
Atom    10:          charge in WS-cell =    49.552045    spin moment =    0.077878
Atom    11:          charge in WS-cell =    49.552045    spin moment =    0.077878
Atom    12:          charge in WS-cell =     1.310305    spin moment =    0.023480
Atom    13:          charge in WS-cell =    50.472665    spin moment =    0.113844
Atom    14:          charge in WS-cell =    50.472588    spin moment =    0.113840
Atom    15:          charge in WS-cell =    50.472588    spin moment =    0.113840
Atom    16:          charge in WS-cell =    50.521713    spin moment =    0.100138
Atom    17:          charge in WS-cell =    50.521758    spin moment =    0.100132
Atom    18:          charge in WS-cell =    50.521758    spin moment =    0.100132
Atom    19:          charge in WS-cell =    50.521713    spin moment =    0.100138
Atom    20:          charge in WS-cell =    50.521757    spin moment =    0.100147
Atom    21:          charge in WS-cell =    50.521757    spin moment =    0.100147
Atom    22:          charge in WS-cell =    50.620148    spin moment =    0.105194
Atom    23:          charge in WS-cell =    50.620171    spin moment =    0.105184
Atom    24:          charge in WS-cell =    50.620171    spin moment =    0.105184
                    TOTAL mag. moment in unit cell =     1.757067
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   3 average rms-error : v+ + v- =  3.3147D-01
                                        v+ - v- =  1.5236D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.07919676
                                eV  : -3231106.46153529
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            4
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.265554781639545E-011  4.729789313345669E-007
  0.125387172683233     
 magnetic moment2 is   1.265786340891451E-011  4.729789317448654E-007
 -7.519416511234782E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.361946440578553E-011  4.472218691407145E-004
  2.712710258751982E-002
 magnetic moment2 is   6.361946440578553E-011  4.472218691407145E-004
 -6.469930006414493E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.884322409645379E-004 -2.233338479516782E-004
  2.712942851018074E-002
 magnetic moment2 is   3.884322409645379E-004 -2.233338479516782E-004
 -6.468466538996825E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.884321755222415E-004 -2.233338816351134E-004
  2.712942904352267E-002
 magnetic moment2 is  -3.884321755222415E-004 -2.233338816351134E-004
 -6.468466095083641E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.868957817826276E-011 -5.096934397120674E-004
  2.752989422429553E-002
 magnetic moment2 is  -1.868957817826276E-011 -5.096934397120674E-004
 -9.158545881951946E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.418126229204936E-004  2.548386843597205E-004
  2.751916618551675E-002
 magnetic moment2 is  -4.418126229204936E-004  2.548386843597205E-004
 -9.168772956047892E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.418126684454380E-004  2.548387111820329E-004
  2.751916699512558E-002
 magnetic moment2 is   4.418126684454380E-004  2.548387111820329E-004
 -9.168772191465543E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.368204292113004E-012 -8.464724990266205E-008
  2.765401656016453E-002
 magnetic moment2 is  -9.368204292113004E-012 -8.464724990266205E-008
 -9.234663595050846E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.549277370619089E-010 -7.217447446483940E-004
  9.725639468540548E-002
 magnetic moment2 is  -1.549346481189220E-010 -7.228987055297648E-004
 -5.126027974275832E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.265896314506798E-004  3.611649788695541E-004
  9.724189853989818E-002
 magnetic moment2 is  -6.275891255768450E-004  3.617417632582163E-004
 -5.127481841129844E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.265896513038878E-004  3.611650237762704E-004
  9.724190092249363E-002
 magnetic moment2 is   6.275891454818259E-004  3.617418081334352E-004
 -5.127481608164292E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.288184577480220E-011  1.542504496436629E-008
  3.069598649468530E-002
 magnetic moment2 is   1.288184577480220E-011  1.542504496436629E-008
 -4.346321780042184E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.902055672532894E-011  2.198475577322631E-004
  0.150092941122365     
 magnetic moment2 is   5.901981762470795E-011  2.199829082924846E-004
  1.092864827096503E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.905356141042224E-004 -1.102454620886175E-004
  0.150086082584581     
 magnetic moment2 is   1.906542355347191E-004 -1.103158897240101E-004
  1.092189529279484E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.905355887928021E-004 -1.102455049931255E-004
  0.150086083070528     
 magnetic moment2 is  -1.906542102418460E-004 -1.103159326287762E-004
  1.092189577855884E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.697499741018520E-004  5.374496426858664E-004
  0.132474303055479     
 magnetic moment2 is  -4.697169689512398E-004  5.373837656544770E-004
 -6.298745945441137E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.309879819880966E-004 -6.753514026955590E-004
  0.132464937391813     
 magnetic moment2 is   2.309482401718705E-004 -6.752894018907799E-004
 -6.308266755116837E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.309879331123727E-004 -6.753512725869344E-004
  0.132464938254344     
 magnetic moment2 is  -2.309481912998269E-004 -6.752892717845737E-004
 -6.308265890157649E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.697500198591215E-004  5.374495657369572E-004
  0.132474302671633     
 magnetic moment2 is   4.697170147007513E-004  5.373836887108280E-004
 -6.298746317725160E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.992312003625313E-004  1.378659280276466E-004
  0.132490633346210     
 magnetic moment2 is   6.991564574087213E-004  1.378682293040057E-004
 -6.282541138610181E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.992311182662920E-004  1.378658745621191E-004
  0.132490634539269     
 magnetic moment2 is  -6.991563753160204E-004  1.378681758368141E-004
 -6.282539954755251E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.299255333932358E-012 -3.835259118398266E-004
  0.138970429603254     
 magnetic moment2 is  -6.328820077055632E-012 -3.835132658198679E-004
 -9.776507751849545E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.301348733145923E-004  1.914326265743910E-004
  0.138949060501356     
 magnetic moment2 is  -3.301323778814450E-004  1.914311866964198E-004
 -9.797952097161874E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.301349423973518E-004  1.914326304934874E-004
  0.138949061130616     
 magnetic moment2 is   3.301324469639689E-004  1.914311906157666E-004
 -9.797951459594112E-003
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000  0.00000 -0.00000 -0.00000  0.03215 -0.00712
 Orbital moments are: 
  0.00000  0.00000  0.00058  0.00050 -0.00125 -0.00014
 Orbital moments are: 
  0.00050  0.00043 -0.00029 -0.00025 -0.00125 -0.00014
 Orbital moments are: 
 -0.00050 -0.00043 -0.00029 -0.00025 -0.00125 -0.00014
 Orbital moments are: 
  0.00000 -0.00000  0.00042  0.00055  0.00036  0.00032
 Orbital moments are: 
  0.00037  0.00047 -0.00021 -0.00027  0.00036  0.00032
 Orbital moments are: 
 -0.00037 -0.00047 -0.00021 -0.00027  0.00036  0.00032
 Orbital moments are: 
 -0.00000 -0.00000  0.00000  0.00000 -0.00007  0.00191
 Orbital moments are: 
 -0.00000 -0.00000 -0.00172  0.00016 -0.11291  0.00632
 Orbital moments are: 
 -0.00149  0.00014  0.00086 -0.00008 -0.11290  0.00632
 Orbital moments are: 
  0.00149 -0.00014  0.00086 -0.00008 -0.11290  0.00632
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00067  0.00193
 Orbital moments are: 
  0.00000  0.00000 -0.00009  0.00041 -0.01572 -0.00006
 Orbital moments are: 
 -0.00008  0.00036  0.00004 -0.00021 -0.01572 -0.00006
 Orbital moments are: 
  0.00008 -0.00036  0.00004 -0.00021 -0.01572 -0.00006
 Orbital moments are: 
  0.00146  0.00006 -0.00092  0.00017 -0.01350 -0.00018
 Orbital moments are: 
 -0.00006  0.00017  0.00173 -0.00004 -0.01350 -0.00018
 Orbital moments are: 
  0.00006 -0.00017  0.00173 -0.00004 -0.01350 -0.00018
 Orbital moments are: 
 -0.00146 -0.00006 -0.00092  0.00017 -0.01350 -0.00018
 Orbital moments are: 
 -0.00153  0.00012 -0.00081 -0.00013 -0.01350 -0.00018
 Orbital moments are: 
  0.00153 -0.00012 -0.00081 -0.00013 -0.01350 -0.00018
 Orbital moments are: 
  0.00000 -0.00000 -0.00101  0.00131 -0.00989 -0.00336
 Orbital moments are: 
 -0.00088  0.00113  0.00051 -0.00065 -0.00989 -0.00335
 Orbital moments are: 
  0.00088 -0.00113  0.00051 -0.00065 -0.00989 -0.00335
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    78.029550    spin moment =    0.125387
Atom     2:          charge in WS-cell =     1.369191    spin moment =    0.027127
Atom     3:          charge in WS-cell =     1.368685    spin moment =    0.027129
Atom     4:          charge in WS-cell =     1.368685    spin moment =    0.027129
Atom     5:          charge in WS-cell =     1.016780    spin moment =    0.027530
Atom     6:          charge in WS-cell =     1.016755    spin moment =    0.027519
Atom     7:          charge in WS-cell =     1.016755    spin moment =    0.027519
Atom     8:          charge in WS-cell =     1.294219    spin moment =    0.027654
Atom     9:          charge in WS-cell =    49.531346    spin moment =    0.097256
Atom    10:          charge in WS-cell =    49.531039    spin moment =    0.097242
Atom    11:          charge in WS-cell =    49.531039    spin moment =    0.097242
Atom    12:          charge in WS-cell =     1.303665    spin moment =    0.030696
Atom    13:          charge in WS-cell =    50.461223    spin moment =    0.150093
Atom    14:          charge in WS-cell =    50.461145    spin moment =    0.150086
Atom    15:          charge in WS-cell =    50.461145    spin moment =    0.150086
Atom    16:          charge in WS-cell =    50.517950    spin moment =    0.132474
Atom    17:          charge in WS-cell =    50.517999    spin moment =    0.132465
Atom    18:          charge in WS-cell =    50.517999    spin moment =    0.132465
Atom    19:          charge in WS-cell =    50.517950    spin moment =    0.132474
Atom    20:          charge in WS-cell =    50.518020    spin moment =    0.132491
Atom    21:          charge in WS-cell =    50.518020    spin moment =    0.132491
Atom    22:          charge in WS-cell =    50.616778    spin moment =    0.138970
Atom    23:          charge in WS-cell =    50.616813    spin moment =    0.138949
Atom    24:          charge in WS-cell =    50.616813    spin moment =    0.138949
                    TOTAL mag. moment in unit cell =     2.301424
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   4 average rms-error : v+ + v- =  2.5640D-01
                                        v+ - v- =  1.9963D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.65502929
                                eV  : -3231100.69039747
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            5
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.986367237051295E-011  3.725069525257220E-007
  0.170763852203669     
 magnetic moment2 is   5.986407829453578E-011  3.725069548584691E-007
 -0.112052078971646     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.314014801793056E-011  5.419423988774989E-004
  3.190079178700012E-002
 magnetic moment2 is   7.314014801793056E-011  5.419423988774989E-004
 -8.876740488788976E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.709210939741994E-004 -2.705130378652651E-004
  3.190356055998445E-002
 magnetic moment2 is   4.709210939741994E-004 -2.705130378652651E-004
 -8.875819473170121E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.709210301764582E-004 -2.705130822819795E-004
  3.190356106791725E-002
 magnetic moment2 is  -4.709210301764582E-004 -2.705130822819795E-004
 -8.875819095852916E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.670580579253567E-011 -5.849538895019708E-004
  3.305959102319705E-002
 magnetic moment2 is  -1.670580579253567E-011 -5.849538895019708E-004
 -1.165550883408265E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.070552634768486E-004  2.923469033833264E-004
  3.304340049589316E-002
 magnetic moment2 is  -5.070552634768486E-004  2.923469033833264E-004
 -1.167061384957496E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.070553231228199E-004  2.923469356839051E-004
  3.304340146681106E-002
 magnetic moment2 is   5.070553231228199E-004  2.923469356839051E-004
 -1.167061295140100E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.156062352086344E-011 -2.877274362216101E-007
  3.332163533176047E-002
 magnetic moment2 is  -1.156062352086344E-011 -2.877274362216101E-007
 -1.169092046053868E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.908244788855103E-010 -8.721577233186975E-004
  0.115225583261413     
 magnetic moment2 is  -1.908335650960269E-010 -8.739806762294646E-004
 -6.688604553086050E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.574675336645340E-004  4.361920631219678E-004
  0.115208139373256     
 magnetic moment2 is  -7.590465480507074E-004  4.371031029121391E-004
 -6.690367381706327E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.574675319090412E-004  4.361921169358565E-004
  0.115208142236063     
 magnetic moment2 is   7.590465463758921E-004  4.371031566789610E-004
 -6.690367102874800E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.681705360371805E-011  4.093686603018494E-009
  3.750660018857688E-002
 magnetic moment2 is   1.681705360371805E-011  4.093686603018494E-009
 -5.434770101392317E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.878280139465537E-011  2.379295799730982E-004
  0.184993644837029     
 magnetic moment2 is   6.878199745874447E-011  2.381530077801778E-004
  1.391118483168488E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.061625519809122E-004 -1.194607830744658E-004
  0.184983039045143     
 magnetic moment2 is   2.063586061831955E-004 -1.195764621825409E-004
  1.390082891836625E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.061625151132979E-004 -1.194608278150583E-004
  0.184983039554885     
 magnetic moment2 is  -2.063585693487627E-004 -1.195765069228503E-004
  1.390082942885523E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.398842815236592E-004  6.666118242860360E-004
  0.163793117027582     
 magnetic moment2 is  -5.398449311055232E-004  6.665299483894602E-004
 -6.683258788646007E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.081494938541709E-004 -8.003757498941375E-004
  0.163779083402638     
 magnetic moment2 is   3.080993154171145E-004 -8.002999932504422E-004
 -6.697605567306891E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.081494272651228E-004 -8.003755923524166E-004
  0.163779084530993     
 magnetic moment2 is  -3.080992488356831E-004 -8.002998357121714E-004
 -6.697604436938148E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.398843634947771E-004  6.666117373308245E-004
  0.163793116225932     
 magnetic moment2 is   5.398450130650462E-004  6.665298614414927E-004
 -6.683259571370406E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.453585458786743E-004  1.337764362572214E-004
  0.163816246210029     
 magnetic moment2 is   8.452662145727646E-004  1.337797652609897E-004
 -6.660389399410077E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.453584259198961E-004  1.337763581846164E-004
  0.163816248084155     
 magnetic moment2 is  -8.452660946200201E-004  1.337796871867259E-004
 -6.660387542210863E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.615392883477437E-011 -4.756172629728445E-004
  0.171487941897031     
 magnetic moment2 is  -1.618871275097314E-011 -4.756104686862021E-004
 -1.123441267302433E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.091459018869260E-004  2.374729792752507E-004
  0.171452282954336     
 magnetic moment2 is  -4.091424401258507E-004  2.374709829382939E-004
 -1.127011537270559E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.091459831856528E-004  2.374729946028987E-004
  0.171452284140326     
 magnetic moment2 is   4.091425214242523E-004  2.374709982662306E-004
 -1.127011417940640E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000  0.00000 -0.00000 -0.00000  0.05060 -0.01627
 Orbital moments are: 
  0.00000  0.00000  0.00084  0.00055 -0.00208  0.00003
 Orbital moments are: 
  0.00072  0.00047 -0.00042 -0.00027 -0.00208  0.00003
 Orbital moments are: 
 -0.00072 -0.00047 -0.00042 -0.00027 -0.00208  0.00003
 Orbital moments are: 
 -0.00000 -0.00000  0.00061  0.00064  0.00033  0.00042
 Orbital moments are: 
  0.00053  0.00056 -0.00030 -0.00032  0.00033  0.00042
 Orbital moments are: 
 -0.00053 -0.00056 -0.00030 -0.00032  0.00033  0.00042
 Orbital moments are: 
 -0.00000 -0.00000  0.00000  0.00000 -0.00004  0.00235
 Orbital moments are: 
 -0.00000 -0.00000 -0.00206  0.00004 -0.14275  0.00773
 Orbital moments are: 
 -0.00178  0.00003  0.00103 -0.00002 -0.14275  0.00773
 Orbital moments are: 
  0.00178 -0.00003  0.00103 -0.00002 -0.14275  0.00773
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00081  0.00239
 Orbital moments are: 
  0.00000  0.00000 -0.00012  0.00054 -0.01929 -0.00008
 Orbital moments are: 
 -0.00010  0.00047  0.00006 -0.00027 -0.01929 -0.00008
 Orbital moments are: 
  0.00010 -0.00047  0.00006 -0.00027 -0.01929 -0.00008
 Orbital moments are: 
  0.00176 -0.00001 -0.00117  0.00030 -0.01652 -0.00037
 Orbital moments are: 
 -0.00014  0.00026  0.00211 -0.00016 -0.01652 -0.00037
 Orbital moments are: 
  0.00014 -0.00026  0.00211 -0.00016 -0.01652 -0.00037
 Orbital moments are: 
 -0.00176  0.00001 -0.00117  0.00030 -0.01652 -0.00037
 Orbital moments are: 
 -0.00189  0.00027 -0.00094 -0.00015 -0.01652 -0.00037
 Orbital moments are: 
  0.00189 -0.00027 -0.00094 -0.00015 -0.01652 -0.00037
 Orbital moments are: 
  0.00000 -0.00000 -0.00143  0.00182 -0.01171 -0.00453
 Orbital moments are: 
 -0.00124  0.00157  0.00071 -0.00091 -0.01171 -0.00452
 Orbital moments are: 
  0.00124 -0.00157  0.00071 -0.00091 -0.01171 -0.00452
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    77.848701    spin moment =    0.170764
Atom     2:          charge in WS-cell =     1.362195    spin moment =    0.031901
Atom     3:          charge in WS-cell =     1.361601    spin moment =    0.031903
Atom     4:          charge in WS-cell =     1.361601    spin moment =    0.031903
Atom     5:          charge in WS-cell =     1.012087    spin moment =    0.033060
Atom     6:          charge in WS-cell =     1.012054    spin moment =    0.033043
Atom     7:          charge in WS-cell =     1.012054    spin moment =    0.033043
Atom     8:          charge in WS-cell =     1.292559    spin moment =    0.033322
Atom     9:          charge in WS-cell =    49.524845    spin moment =    0.115226
Atom    10:          charge in WS-cell =    49.524461    spin moment =    0.115208
Atom    11:          charge in WS-cell =    49.524461    spin moment =    0.115208
Atom    12:          charge in WS-cell =     1.301650    spin moment =    0.037507
Atom    13:          charge in WS-cell =    50.462411    spin moment =    0.184994
Atom    14:          charge in WS-cell =    50.462340    spin moment =    0.184983
Atom    15:          charge in WS-cell =    50.462340    spin moment =    0.184983
Atom    16:          charge in WS-cell =    50.522727    spin moment =    0.163793
Atom    17:          charge in WS-cell =    50.522771    spin moment =    0.163779
Atom    18:          charge in WS-cell =    50.522771    spin moment =    0.163779
Atom    19:          charge in WS-cell =    50.522727    spin moment =    0.163793
Atom    20:          charge in WS-cell =    50.522820    spin moment =    0.163816
Atom    21:          charge in WS-cell =    50.522820    spin moment =    0.163816
Atom    22:          charge in WS-cell =    50.620949    spin moment =    0.171488
Atom    23:          charge in WS-cell =    50.620995    spin moment =    0.171452
Atom    24:          charge in WS-cell =    50.620995    spin moment =    0.171452
                    TOTAL mag. moment in unit cell =     2.834217
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   5 average rms-error : v+ + v- =  2.1619D-01
                                        v+ - v- =  2.4518D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.56027984
                                eV  : -3231099.40125550
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            6
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.802386511916704E-011  2.231747958813965E-007
  0.228167122882213     
 magnetic moment2 is   6.802079301621768E-011  2.231747986420009E-007
 -0.153899668792115     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.641862088871715E-011  6.010483711632140E-004
  3.631866748157209E-002
 magnetic moment2 is   7.641862088871715E-011  6.010483711632140E-004
 -1.142483837988806E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.225254645484813E-004 -2.997639393255377E-004
  3.632197581136531E-002
 magnetic moment2 is   5.225254645484813E-004 -2.997639393255377E-004
 -1.142474657775866E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.225254120954507E-004 -2.997639964671591E-004
  3.632197630348277E-002
 magnetic moment2 is  -5.225254120954507E-004 -2.997639964671591E-004
 -1.142474626030113E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.574995613529834E-011 -6.433490809723936E-004
  3.830937793507805E-002
 magnetic moment2 is  -1.574995613529834E-011 -6.433490809723936E-004
 -1.424237508787720E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.575133359115420E-004  3.212901026036369E-004
  3.828703660090943E-002
 magnetic moment2 is  -5.575133359115420E-004  3.212901026036369E-004
 -1.426280693234082E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.575134147488259E-004  3.212901452609492E-004
  3.828703772735337E-002
 magnetic moment2 is   5.575134147488259E-004  3.212901452609492E-004
 -1.426280591143968E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.470136322304496E-011 -5.737101129150098E-007
  3.854757336709413E-002
 magnetic moment2 is  -1.470136322304496E-011 -5.737101129150098E-007
 -1.439210261128152E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.279800684172606E-010 -1.092067996809520E-003
  0.131758359084080     
 magnetic moment2 is  -2.279898517697741E-010 -1.094635082939268E-003
 -8.278637166592240E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.484359542432542E-004  5.457803221873861E-004
  0.131739070769296     
 magnetic moment2 is  -9.506596111401516E-004  5.470630755607598E-004
 -8.280612079431393E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.484359182332272E-004  5.457803790217173E-004
  0.131739074197349     
 magnetic moment2 is   9.506595752405544E-004  5.470631323293394E-004
 -8.280611746878838E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.112655507341018E-011 -5.047955110090290E-009
  4.392953013152856E-002
 magnetic moment2 is   2.112655507341018E-011 -5.047955110090290E-009
 -6.774318354695358E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.959016193499757E-011  2.871357787342678E-004
  0.218528923746001     
 magnetic moment2 is   7.958882468003803E-011  2.874905572848451E-004
  1.666089460720407E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.487281927902721E-004 -1.442799333294341E-004
  0.218514007014229     
 magnetic moment2 is   2.490394636630718E-004 -1.444625509517432E-004
  1.664646541478038E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.487281460475686E-004 -1.442799811568802E-004
  0.218514007498142     
 magnetic moment2 is  -2.490394169737725E-004 -1.444625987775175E-004
  1.664646590129973E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.030903826619723E-004  8.031317049444288E-004
  0.194182881521539     
 magnetic moment2 is  -6.030486297167149E-004  8.030404047191608E-004
 -6.829345446506097E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.952294855682516E-004 -9.229610461213789E-004
  0.194162681375940     
 magnetic moment2 is   3.951725211207756E-004 -9.228782167547479E-004
 -6.850088715393526E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.952294003169512E-004 -9.229608572561205E-004
  0.194162682753128     
 magnetic moment2 is  -3.951724358808219E-004 -9.228780278934170E-004
 -6.850087336747163E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.030905089105575E-004  8.031316196508629E-004
  0.194182880173650     
 magnetic moment2 is   6.030487559496122E-004  8.030403194351838E-004
 -6.829346765002492E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.942804282594480E-004  1.199830083577796E-004
  0.194211230705677     
 magnetic moment2 is   9.941781741770515E-004  1.199873345112106E-004
 -6.801438222086759E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.942802540854002E-004  1.199829008607347E-004
  0.194211233378223     
 magnetic moment2 is  -9.941780000119369E-004  1.199872270123924E-004
 -6.801435577662288E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.753586962193696E-011 -5.347321806232321E-004
  0.202959864732950     
 magnetic moment2 is  -3.757479947303320E-011 -5.347444818872824E-004
 -1.249429384488134E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.597128445290988E-004  2.671279755848423E-004
  0.202909201130032     
 magnetic moment2 is  -4.597086957167375E-004  2.671255850245362E-004
 -1.254490663931715E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.597129294271960E-004  2.671280135758616E-004
  0.202909203027325     
 magnetic moment2 is   4.597087806143359E-004  2.671256230158664E-004
 -1.254490473922290E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000  0.00000 -0.00000 -0.00000  0.07704 -0.03052
 Orbital moments are: 
  0.00000  0.00000  0.00117  0.00055 -0.00330  0.00023
 Orbital moments are: 
  0.00101  0.00048 -0.00059 -0.00027 -0.00330  0.00023
 Orbital moments are: 
 -0.00101 -0.00048 -0.00059 -0.00027 -0.00330  0.00023
 Orbital moments are: 
 -0.00000 -0.00000  0.00085  0.00072  0.00021  0.00053
 Orbital moments are: 
  0.00074  0.00062 -0.00042 -0.00036  0.00021  0.00054
 Orbital moments are: 
 -0.00074 -0.00062 -0.00042 -0.00036  0.00021  0.00054
 Orbital moments are: 
 -0.00000 -0.00000  0.00000  0.00000  0.00001  0.00277
 Orbital moments are: 
 -0.00000 -0.00000 -0.00242 -0.00027 -0.17117  0.00898
 Orbital moments are: 
 -0.00210 -0.00023  0.00122  0.00013 -0.17116  0.00898
 Orbital moments are: 
  0.00210  0.00023  0.00122  0.00013 -0.17116  0.00898
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00094  0.00284
 Orbital moments are: 
  0.00000  0.00000 -0.00015  0.00070 -0.02264 -0.00015
 Orbital moments are: 
 -0.00013  0.00061  0.00007 -0.00035 -0.02264 -0.00015
 Orbital moments are: 
  0.00013 -0.00061  0.00007 -0.00035 -0.02264 -0.00015
 Orbital moments are: 
  0.00206 -0.00005 -0.00135  0.00045 -0.01938 -0.00061
 Orbital moments are: 
 -0.00014  0.00036  0.00246 -0.00028 -0.01937 -0.00061
 Orbital moments are: 
  0.00014 -0.00036  0.00246 -0.00028 -0.01937 -0.00061
 Orbital moments are: 
 -0.00206  0.00005 -0.00135  0.00045 -0.01938 -0.00061
 Orbital moments are: 
 -0.00220  0.00042 -0.00111 -0.00018 -0.01937 -0.00061
 Orbital moments are: 
  0.00220 -0.00042 -0.00111 -0.00018 -0.01937 -0.00061
 Orbital moments are: 
  0.00000 -0.00000 -0.00184  0.00243 -0.01343 -0.00585
 Orbital moments are: 
 -0.00159  0.00209  0.00091 -0.00121 -0.01344 -0.00583
 Orbital moments are: 
  0.00159 -0.00209  0.00091 -0.00121 -0.01344 -0.00583
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    77.667144    spin moment =    0.228167
Atom     2:          charge in WS-cell =     1.358963    spin moment =    0.036319
Atom     3:          charge in WS-cell =     1.358301    spin moment =    0.036322
Atom     4:          charge in WS-cell =     1.358301    spin moment =    0.036322
Atom     5:          charge in WS-cell =     1.010207    spin moment =    0.038309
Atom     6:          charge in WS-cell =     1.010164    spin moment =    0.038287
Atom     7:          charge in WS-cell =     1.010164    spin moment =    0.038287
Atom     8:          charge in WS-cell =     1.293621    spin moment =    0.038547
Atom     9:          charge in WS-cell =    49.526493    spin moment =    0.131758
Atom    10:          charge in WS-cell =    49.526042    spin moment =    0.131739
Atom    11:          charge in WS-cell =    49.526042    spin moment =    0.131739
Atom    12:          charge in WS-cell =     1.302165    spin moment =    0.043929
Atom    13:          charge in WS-cell =    50.469891    spin moment =    0.218529
Atom    14:          charge in WS-cell =    50.469832    spin moment =    0.218514
Atom    15:          charge in WS-cell =    50.469832    spin moment =    0.218514
Atom    16:          charge in WS-cell =    50.531063    spin moment =    0.194183
Atom    17:          charge in WS-cell =    50.531097    spin moment =    0.194163
Atom    18:          charge in WS-cell =    50.531097    spin moment =    0.194163
Atom    19:          charge in WS-cell =    50.531063    spin moment =    0.194183
Atom    20:          charge in WS-cell =    50.531176    spin moment =    0.194211
Atom    21:          charge in WS-cell =    50.531176    spin moment =    0.194211
Atom    22:          charge in WS-cell =    50.627917    spin moment =    0.202960
Atom    23:          charge in WS-cell =    50.627975    spin moment =    0.202909
Atom    24:          charge in WS-cell =    50.627975    spin moment =    0.202909
                    TOTAL mag. moment in unit cell =     3.359175
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   6 average rms-error : v+ + v- =  1.8869D-01
                                        v+ - v- =  2.8906D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.61593970
                                eV  : -3231100.15855240
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            7
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.219276736260803E-011  1.459312939390082E-007
  0.301654154239356     
 magnetic moment2 is   3.219321509109494E-011  1.459312929770119E-007
 -0.197820360965225     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.297693916177850E-011  5.735516234842341E-004
  4.048850752157196E-002
 magnetic moment2 is   7.297693916177850E-011  5.735516234842341E-004
 -1.403315465799732E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.990481321738301E-004 -2.855385555000487E-004
  4.049289298335801E-002
 magnetic moment2 is   4.990481321738301E-004 -2.855385555000487E-004
 -1.403372708382783E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.990481065780923E-004 -2.855386273019953E-004
  4.049289345547902E-002
 magnetic moment2 is  -4.990481065780923E-004 -2.855386273019953E-004
 -1.403372683153770E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.554725131188567E-011 -6.655804533103568E-004
  4.333232143198307E-002
 magnetic moment2 is  -1.554725131188567E-011 -6.655804533103568E-004
 -1.688865494434934E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.763191119195162E-004  3.319168686885073E-004
  4.330311528529635E-002
 magnetic moment2 is  -5.763191119195162E-004  3.319168686885073E-004
 -1.691489185333451E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.763192155326027E-004  3.319169275178287E-004
  4.330311654650842E-002
 magnetic moment2 is   5.763192155326027E-004  3.319169275178287E-004
 -1.691489073474248E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.984098455888231E-011 -9.249196072759339E-007
  4.343048966485208E-002
 magnetic moment2 is  -1.984098455888231E-011 -9.249196072759339E-007
 -1.725321507213143E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.665605273403232E-010 -1.442785616043737E-003
  0.147266150415404     
 magnetic moment2 is  -2.665720658535237E-010 -1.446140464220994E-003
 -9.858286289128176E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.252487013986104E-003  7.205293427699078E-004
  0.147244834740350     
 magnetic moment2 is  -1.255393124338664E-003  7.222055059533831E-004
 -9.860507614652778E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.252486938700626E-003  7.205293975944828E-004
  0.147244838698780     
 magnetic moment2 is   1.255393049196571E-003  7.222055606925305E-004
 -9.860507232467924E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.567790177439300E-011 -2.045917323291982E-009
  4.999632815866228E-002
 magnetic moment2 is   2.567790177439300E-011 -2.045917323291982E-009
 -8.343056121867753E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.133828741091088E-011  3.698398753162722E-004
  0.250749184200371     
 magnetic moment2 is   9.133716688796562E-011  3.703711569158244E-004
  1.920616721835891E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.202746055573683E-004 -1.858882777446994E-004
  0.250729432749857     
 magnetic moment2 is   3.207404346465764E-004 -1.861604250436391E-004
  1.918725257080291E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.202745499100771E-004 -1.858883284620739E-004
  0.250729433132641     
 magnetic moment2 is  -3.207403790785365E-004 -1.861604757571358E-004
  1.918725295870613E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.394630682589762E-004  9.347825632973024E-004
  0.223862219945932     
 magnetic moment2 is  -6.394226756804984E-004  9.346885689559626E-004
 -6.550693435718763E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.915640136411640E-004 -1.019856784160688E-003
  0.223833155968861     
 magnetic moment2 is   4.915041298882612E-004 -1.019773501942212E-003
 -6.580600307425633E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.915639091013711E-004 -1.019856557298595E-003
  0.223833157551946     
 magnetic moment2 is  -4.915040253641685E-004 -1.019773275084355E-003
 -6.580598723587530E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.394632490286950E-004  9.347824964527255E-004
  0.223862217880456     
 magnetic moment2 is   6.394228564297278E-004  9.346885021223747E-004
 -6.550695458026431E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.125595556414556E-003  8.550167612807408E-005
  0.223892413472242     
 magnetic moment2 is   1.125491120606572E-003  8.550691610370793E-005
 -6.521160650436397E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.125595305533417E-003  8.550153233475373E-005
  0.223892417074524     
 magnetic moment2 is  -1.125490869737201E-003  8.550677230860732E-005
 -6.521157091024188E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.538909779650563E-011 -5.444255903816551E-004
  0.233786097480909     
 magnetic moment2 is  -7.543139989582906E-011 -5.444701477529768E-004
 -1.318550792790968E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.675656002908842E-004  2.722395346486082E-004
  0.233721185992379     
 magnetic moment2 is  -4.675610791958550E-004  2.722369327672493E-004
 -1.325021126735619E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.675656747302070E-004  2.722396093375271E-004
  0.233721188822891     
 magnetic moment2 is   4.675611536345238E-004  2.722370074564614E-004
 -1.325020844276027E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000  0.00000 -0.00000 -0.00001  0.11491 -0.05303
 Orbital moments are: 
  0.00000  0.00000  0.00160  0.00047 -0.00506  0.00055
 Orbital moments are: 
  0.00138  0.00041 -0.00080 -0.00023 -0.00506  0.00055
 Orbital moments are: 
 -0.00138 -0.00041 -0.00080 -0.00023 -0.00506  0.00055
 Orbital moments are: 
  0.00000 -0.00000  0.00116  0.00077 -0.00002  0.00068
 Orbital moments are: 
  0.00100  0.00067 -0.00058 -0.00039 -0.00003  0.00069
 Orbital moments are: 
 -0.00100 -0.00067 -0.00058 -0.00039 -0.00003  0.00069
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00007  0.00319
 Orbital moments are: 
 -0.00000 -0.00000 -0.00288 -0.00080 -0.19834  0.01001
 Orbital moments are: 
 -0.00250 -0.00070  0.00144  0.00040 -0.19832  0.01002
 Orbital moments are: 
  0.00250  0.00070  0.00144  0.00040 -0.19832  0.01002
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00105  0.00326
 Orbital moments are: 
  0.00000  0.00000 -0.00017  0.00089 -0.02578 -0.00026
 Orbital moments are: 
 -0.00015  0.00077  0.00008 -0.00044 -0.02578 -0.00026
 Orbital moments are: 
  0.00015 -0.00077  0.00008 -0.00044 -0.02578 -0.00026
 Orbital moments are: 
  0.00237 -0.00012 -0.00142  0.00060 -0.02209 -0.00090
 Orbital moments are: 
 -0.00004  0.00046  0.00276 -0.00040 -0.02208 -0.00090
 Orbital moments are: 
  0.00004 -0.00046  0.00276 -0.00040 -0.02208 -0.00090
 Orbital moments are: 
 -0.00237  0.00012 -0.00142  0.00060 -0.02209 -0.00090
 Orbital moments are: 
 -0.00241  0.00058 -0.00135 -0.00020 -0.02208 -0.00090
 Orbital moments are: 
  0.00241 -0.00058 -0.00135 -0.00020 -0.02208 -0.00090
 Orbital moments are: 
 -0.00000 -0.00000 -0.00217  0.00317 -0.01513 -0.00741
 Orbital moments are: 
 -0.00187  0.00273  0.00108 -0.00158 -0.01514 -0.00738
 Orbital moments are: 
  0.00187 -0.00273  0.00108 -0.00158 -0.01514 -0.00738
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    77.479257    spin moment =    0.301654
Atom     2:          charge in WS-cell =     1.357906    spin moment =    0.040488
Atom     3:          charge in WS-cell =     1.357190    spin moment =    0.040493
Atom     4:          charge in WS-cell =     1.357190    spin moment =    0.040493
Atom     5:          charge in WS-cell =     1.010011    spin moment =    0.043332
Atom     6:          charge in WS-cell =     1.009957    spin moment =    0.043303
Atom     7:          charge in WS-cell =     1.009957    spin moment =    0.043303
Atom     8:          charge in WS-cell =     1.296174    spin moment =    0.043430
Atom     9:          charge in WS-cell =    49.533040    spin moment =    0.147266
Atom    10:          charge in WS-cell =    49.532536    spin moment =    0.147245
Atom    11:          charge in WS-cell =    49.532536    spin moment =    0.147245
Atom    12:          charge in WS-cell =     1.304195    spin moment =    0.049996
Atom    13:          charge in WS-cell =    50.480607    spin moment =    0.250749
Atom    14:          charge in WS-cell =    50.480564    spin moment =    0.250729
Atom    15:          charge in WS-cell =    50.480564    spin moment =    0.250729
Atom    16:          charge in WS-cell =    50.540516    spin moment =    0.223862
Atom    17:          charge in WS-cell =    50.540539    spin moment =    0.223833
Atom    18:          charge in WS-cell =    50.540539    spin moment =    0.223833
Atom    19:          charge in WS-cell =    50.540516    spin moment =    0.223862
Atom    20:          charge in WS-cell =    50.540648    spin moment =    0.223892
Atom    21:          charge in WS-cell =    50.540648    spin moment =    0.223892
Atom    22:          charge in WS-cell =    50.635301    spin moment =    0.233786
Atom    23:          charge in WS-cell =    50.635370    spin moment =    0.233721
Atom    24:          charge in WS-cell =    50.635370    spin moment =    0.233721
                    TOTAL mag. moment in unit cell =     3.884861
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   7 average rms-error : v+ + v- =  1.6664D-01
                                        v+ - v- =  3.3128D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.71823517
                                eV  : -3231101.55036413
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            8
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.379956407640079E-011  6.049802692761597E-007
  0.397688954454100     
 magnetic moment2 is  -3.380064982525544E-011  6.049802703751485E-007
 -0.236339315736506     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.306681175557993E-011  3.735569723829107E-004
  4.462802758888107E-002
 magnetic moment2 is   6.306681175557993E-011  3.735569723829107E-004
 -1.651562944148083E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.260507614489684E-004 -1.847979283794861E-004
  4.463447316088098E-002
 magnetic moment2 is   3.260507614489684E-004 -1.847979283794861E-004
 -1.651624065206508E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.260507779784965E-004 -1.847980168467685E-004
  4.463447359481632E-002
 magnetic moment2 is  -3.260507779784965E-004 -1.847980168467685E-004
 -1.651624048268585E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.533787279042048E-011 -6.233933279092105E-004
  4.822542335872915E-002
 magnetic moment2 is  -1.533787279042048E-011 -6.233933279092105E-004
 -1.952525594195405E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.387699511641464E-004  3.099412797632040E-004
  4.818854258588912E-002
 magnetic moment2 is  -5.387699511641464E-004  3.099412797632040E-004
 -1.955787908544699E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.387700876860786E-004  3.099413612683468E-004
  4.818854394846606E-002
 magnetic moment2 is   5.387700876860786E-004  3.099413612683468E-004
 -1.955787790593190E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.871995416296745E-011 -1.287493608994153E-006
  4.812788591441697E-002
 magnetic moment2 is  -2.871995416296745E-011 -1.287493608994153E-006
 -2.013775349297492E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.007384839206692E-010 -1.980304484888844E-003
  0.162749164085770     
 magnetic moment2 is  -3.007516644580599E-010 -1.984461388851978E-003
 -0.113312230173815     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.718033893863860E-003  9.884367698318299E-004
  0.162722137411848     
 magnetic moment2 is  -1.721634836940539E-003  9.905133703100298E-004
 -0.113340748889872     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.718033793067679E-003  9.884368193386660E-004
  0.162722141700176     
 magnetic moment2 is   1.721634736321145E-003  9.905134197087007E-004
 -0.113340744776618     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.986494140300939E-011  2.410705695121384E-008
  5.574762355881580E-002
 magnetic moment2 is   2.986494140300939E-011  2.410705695121384E-008
 -1.011462171174127E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.042817714775809E-010  4.942658456748707E-004
  0.281719809945171     
 magnetic moment2 is   1.042808685540117E-010  4.950168539761009E-004
  2.159110010182948E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.279130243077729E-004 -2.484006966026857E-004
  0.281694852056430     
 magnetic moment2 is   4.285709874222446E-004 -2.487839753307062E-004
  2.156745178269687E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.279129589847758E-004 -2.484007490919010E-004
  0.281694852221055     
 magnetic moment2 is  -4.285709222109093E-004 -2.487840278131727E-004
  2.156745195576185E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.077578633886694E-004  1.033818430774365E-003
  0.253067513636403     
 magnetic moment2 is  -6.077222592153045E-004  1.033728462823638E-003
 -5.644020380685177E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.936890648524124E-004 -1.041710445452138E-003
  0.253025288639728     
 magnetic moment2 is   5.936302865487370E-004 -1.041633047882271E-003
 -5.687442679418453E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.936889428409466E-004 -1.041710176007812E-003
  0.253025290306703     
 magnetic moment2 is  -5.936301645569110E-004 -1.041632778441927E-003
 -5.687441012379654E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.077581099812098E-004  1.033818406659891E-003
  0.253067510649628     
 magnetic moment2 is   6.077225057825876E-004  1.033728438721827E-003
 -5.644023306770551E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.194953844612124E-003  8.761281793144299E-006
  0.253094132789669     
 magnetic moment2 is   1.194854819087190E-003  8.767310757558378E-006
 -5.618296217401814E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.194953492735393E-003  8.761093142906724E-006
  0.253094137407490     
 magnetic moment2 is  -1.194854467225117E-003  8.767122105707509E-006
 -5.618291661085989E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.342195943688888E-010 -4.705425727156616E-004
  0.264400084741102     
 magnetic moment2 is  -1.342645263090018E-010 -4.706316861878715E-004
 -1.290751387208511E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.030290457875438E-004  2.358767151622945E-004
  0.264323851617055     
 magnetic moment2 is  -4.030244721246374E-004  2.358740878249795E-004
 -1.298332829881960E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.030290882065571E-004  2.358768413923544E-004
  0.264323855657890     
 magnetic moment2 is   4.030245145428999E-004  2.358742140553123E-004
 -1.298332427779492E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000  0.00000 -0.00000 -0.00002  0.16921 -0.08997
 Orbital moments are: 
  0.00000  0.00000  0.00213  0.00023 -0.00756  0.00112
 Orbital moments are: 
  0.00184  0.00021 -0.00107 -0.00012 -0.00756  0.00111
 Orbital moments are: 
 -0.00184 -0.00021 -0.00107 -0.00012 -0.00756  0.00111
 Orbital moments are: 
  0.00000 -0.00000  0.00155  0.00077 -0.00040  0.00090
 Orbital moments are: 
  0.00134  0.00067 -0.00078 -0.00039 -0.00041  0.00090
 Orbital moments are: 
 -0.00134 -0.00067 -0.00078 -0.00039 -0.00041  0.00090
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00014  0.00362
 Orbital moments are: 
 -0.00000 -0.00000 -0.00355 -0.00163 -0.22439  0.01078
 Orbital moments are: 
 -0.00308 -0.00141  0.00178  0.00081 -0.22435  0.01079
 Orbital moments are: 
  0.00308  0.00141  0.00178  0.00081 -0.22435  0.01079
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00115  0.00367
 Orbital moments are: 
  0.00000  0.00000 -0.00018  0.00113 -0.02871 -0.00041
 Orbital moments are: 
 -0.00016  0.00098  0.00009 -0.00057 -0.02871 -0.00041
 Orbital moments are: 
  0.00016 -0.00098  0.00009 -0.00057 -0.02871 -0.00041
 Orbital moments are: 
  0.00270 -0.00025 -0.00133  0.00066 -0.02466 -0.00125
 Orbital moments are: 
  0.00020  0.00045  0.00301 -0.00055 -0.02466 -0.00125
 Orbital moments are: 
 -0.00020 -0.00045  0.00301 -0.00055 -0.02466 -0.00125
 Orbital moments are: 
 -0.00270  0.00025 -0.00133  0.00066 -0.02466 -0.00125
 Orbital moments are: 
 -0.00250  0.00070 -0.00167 -0.00012 -0.02466 -0.00125
 Orbital moments are: 
  0.00250 -0.00070 -0.00167 -0.00012 -0.02466 -0.00125
 Orbital moments are: 
 -0.00000 -0.00000 -0.00233  0.00402 -0.01702 -0.00926
 Orbital moments are: 
 -0.00202  0.00346  0.00116 -0.00200 -0.01703 -0.00922
 Orbital moments are: 
  0.00202 -0.00346  0.00116 -0.00200 -0.01703 -0.00922
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    77.279808    spin moment =    0.397689
Atom     2:          charge in WS-cell =     1.358138    spin moment =    0.044628
Atom     3:          charge in WS-cell =     1.357380    spin moment =    0.044634
Atom     4:          charge in WS-cell =     1.357380    spin moment =    0.044634
Atom     5:          charge in WS-cell =     1.010929    spin moment =    0.048225
Atom     6:          charge in WS-cell =     1.010866    spin moment =    0.048188
Atom     7:          charge in WS-cell =     1.010866    spin moment =    0.048188
Atom     8:          charge in WS-cell =     1.299535    spin moment =    0.048128
Atom     9:          charge in WS-cell =    49.542250    spin moment =    0.162749
Atom    10:          charge in WS-cell =    49.541707    spin moment =    0.162722
Atom    11:          charge in WS-cell =    49.541707    spin moment =    0.162722
Atom    12:          charge in WS-cell =     1.307258    spin moment =    0.055748
Atom    13:          charge in WS-cell =    50.493161    spin moment =    0.281720
Atom    14:          charge in WS-cell =    50.493134    spin moment =    0.281695
Atom    15:          charge in WS-cell =    50.493134    spin moment =    0.281695
Atom    16:          charge in WS-cell =    50.549943    spin moment =    0.253067
Atom    17:          charge in WS-cell =    50.549954    spin moment =    0.253025
Atom    18:          charge in WS-cell =    50.549954    spin moment =    0.253025
Atom    19:          charge in WS-cell =    50.549943    spin moment =    0.253067
Atom    20:          charge in WS-cell =    50.550093    spin moment =    0.253094
Atom    21:          charge in WS-cell =    50.550093    spin moment =    0.253094
Atom    22:          charge in WS-cell =    50.641933    spin moment =    0.264400
Atom    23:          charge in WS-cell =    50.642011    spin moment =    0.264324
Atom    24:          charge in WS-cell =    50.642011    spin moment =    0.264324
                    TOTAL mag. moment in unit cell =     4.424787
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   8 average rms-error : v+ + v- =  1.4880D-01
                                        v+ - v- =  3.7181D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.80299402
                                eV  : -3231102.70357597
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number            9
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.907665629948470E-011  2.524441406875212E-006
  0.526786550524516     
 magnetic moment2 is  -4.907525896956041E-011  2.524441404121791E-006
 -0.254428142720826     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.184194046270463E-011 -1.431241177606634E-004
  4.912536916502541E-002
 magnetic moment2 is   5.184194046270463E-011 -1.431241177606634E-004
 -1.852889459245982E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.213981116787587E-004  7.472190060859446E-005
  4.913498208012956E-002
 magnetic moment2 is  -1.213981116787587E-004  7.472190060859446E-005
 -1.852878416757714E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.213980476174046E-004  7.472178911033960E-005
  4.913498244093673E-002
 magnetic moment2 is   1.213980476174046E-004  7.472178911033960E-005
 -1.852878411429035E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.450703337839421E-011 -4.828775824896200E-004
  5.315832189946190E-002
 magnetic moment2 is  -1.450703337839421E-011 -4.828775824896200E-004
 -2.202315823736613E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.152107250978102E-004  2.381987796823906E-004
  5.311307229304291E-002
 magnetic moment2 is  -4.152107250978102E-004  2.381987796823906E-004
 -2.206263628900511E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.152109078992368E-004  2.381988920521168E-004
  5.311307370776436E-002
 magnetic moment2 is   4.152109078992368E-004  2.381988920521168E-004
 -2.206263509999964E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.199092746289270E-011 -1.553367414425770E-006
  5.287330957829273E-002
 magnetic moment2 is  -4.199092746289270E-011 -1.553367414425770E-006
 -2.284926432932874E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.164791618874563E-010 -2.686048254004023E-003
  0.179873646538351     
 magnetic moment2 is  -3.164936396727464E-010 -2.690990052466109E-003
 -0.125361524538503     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.329208987565670E-003  1.340496657629840E-003
  0.179832683176719     
 magnetic moment2 is  -2.333489873044723E-003  1.342965001530586E-003
 -0.125404678799479     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.329208934028381E-003  1.340496714102500E-003
  0.179832687263852     
 magnetic moment2 is   2.333489819717805E-003  1.342965057872739E-003
 -0.125404674926907     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.187233264052766E-011  8.238301574028917E-008
  6.124001125161027E-002
 magnetic moment2 is   3.187233264052766E-011  8.238301574028917E-008
 -1.205702228938590E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.185466583838307E-010  6.733807054047020E-004
  0.311443425284653     
 magnetic moment2 is   1.185453778326448E-010  6.743910224771617E-004
  2.379962969648035E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.829412094585336E-004 -3.383289493145260E-004
  0.311413438839169     
 magnetic moment2 is   5.838256135067768E-004 -3.388431245305541E-004
  2.377155805925350E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.829411291578902E-004 -3.383290011804679E-004
  0.311413438633732     
 magnetic moment2 is  -5.838255333559980E-004 -3.388431763853161E-004
  2.377155786627240E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.423074038372530E-004  1.062181194559830E-003
  0.281798354406671     
 magnetic moment2 is  -4.422796417013117E-004  1.062102072175679E-003
 -4.140537151101562E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.014000291196314E-004 -9.129053783956613E-004
  0.281738357369183     
 magnetic moment2 is   7.013466567480173E-004 -9.128399391936509E-004
 -4.202117577401132E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.013998980534902E-004 -9.129050818210830E-004
  0.281738358856999     
 magnetic moment2 is  -7.013465257054655E-004 -9.128396426225151E-004
 -4.202116089429414E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.423077271135650E-004  1.062181243396136E-003
  0.281798350372518     
 magnetic moment2 is   4.422799649471623E-004  1.062102121025561E-003
 -4.140541102835127E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.137006621273825E-003 -1.477251980530586E-004
  0.281815687150106     
 magnetic moment2 is   1.136920523833261E-003 -1.477185436059793E-004
 -4.124319105594854E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.137006162927586E-003 -1.477254381957241E-004
  0.281815692655884     
 magnetic moment2 is  -1.136920065503846E-003 -1.477187837504584E-004
 -4.124313683443681E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.079499325014812E-010 -2.698833828370421E-004
  0.294831641011347     
 magnetic moment2 is  -2.079968227817683E-010 -2.700285375213955E-004
 -1.166429141585941E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.286090023311231E-004  1.366612636118821E-004
  0.294749779690891     
 magnetic moment2 is  -2.286047003295806E-004  1.366587992605310E-004
 -1.174549038279978E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.286089890621097E-004  1.366614468108872E-004
  0.294749785127563     
 magnetic moment2 is   2.286046870596046E-004  1.366589824597883E-004
 -1.174548498652556E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000  0.00000 -0.00001 -0.00005  0.24416 -0.15425
 Orbital moments are: 
  0.00000  0.00000  0.00274 -0.00023 -0.01105  0.00222
 Orbital moments are: 
  0.00237 -0.00019 -0.00137  0.00011 -0.01105  0.00222
 Orbital moments are: 
 -0.00237  0.00019 -0.00137  0.00011 -0.01105  0.00222
 Orbital moments are: 
  0.00000 -0.00000  0.00206  0.00070 -0.00097  0.00123
 Orbital moments are: 
  0.00178  0.00060 -0.00103 -0.00035 -0.00098  0.00123
 Orbital moments are: 
 -0.00178 -0.00060 -0.00103 -0.00035 -0.00098  0.00123
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00025  0.00410
 Orbital moments are: 
 -0.00000 -0.00000 -0.00466 -0.00270 -0.24926  0.01127
 Orbital moments are: 
 -0.00404 -0.00234  0.00233  0.00134 -0.24920  0.01128
 Orbital moments are: 
  0.00404  0.00234  0.00233  0.00134 -0.24920  0.01128
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00124  0.00405
 Orbital moments are: 
  0.00000  0.00000 -0.00016  0.00145 -0.03143 -0.00059
 Orbital moments are: 
 -0.00014  0.00125  0.00008 -0.00072 -0.03143 -0.00059
 Orbital moments are: 
  0.00014 -0.00125  0.00008 -0.00072 -0.03143 -0.00059
 Orbital moments are: 
  0.00300 -0.00050 -0.00115  0.00048 -0.02711 -0.00167
 Orbital moments are: 
  0.00050  0.00017  0.00318 -0.00067 -0.02711 -0.00167
 Orbital moments are: 
 -0.00050 -0.00017  0.00318 -0.00067 -0.02711 -0.00167
 Orbital moments are: 
 -0.00300  0.00050 -0.00115  0.00048 -0.02711 -0.00167
 Orbital moments are: 
 -0.00250  0.00067 -0.00202  0.00019 -0.02711 -0.00167
 Orbital moments are: 
  0.00250 -0.00067 -0.00202  0.00019 -0.02711 -0.00167
 Orbital moments are: 
 -0.00000 -0.00000 -0.00231  0.00482 -0.01937 -0.01123
 Orbital moments are: 
 -0.00200  0.00414  0.00115 -0.00240 -0.01937 -0.01119
 Orbital moments are: 
  0.00200 -0.00414  0.00115 -0.00240 -0.01937 -0.01119
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    77.061751    spin moment =    0.526787
Atom     2:          charge in WS-cell =     1.359055    spin moment =    0.049125
Atom     3:          charge in WS-cell =     1.358266    spin moment =    0.049135
Atom     4:          charge in WS-cell =     1.358266    spin moment =    0.049135
Atom     5:          charge in WS-cell =     1.012658    spin moment =    0.053158
Atom     6:          charge in WS-cell =     1.012586    spin moment =    0.053113
Atom     7:          charge in WS-cell =     1.012586    spin moment =    0.053113
Atom     8:          charge in WS-cell =     1.303283    spin moment =    0.052873
Atom     9:          charge in WS-cell =    49.552141    spin moment =    0.179874
Atom    10:          charge in WS-cell =    49.551580    spin moment =    0.179833
Atom    11:          charge in WS-cell =    49.551580    spin moment =    0.179833
Atom    12:          charge in WS-cell =     1.311155    spin moment =    0.061240
Atom    13:          charge in WS-cell =    50.507120    spin moment =    0.311443
Atom    14:          charge in WS-cell =    50.507110    spin moment =    0.311413
Atom    15:          charge in WS-cell =    50.507110    spin moment =    0.311413
Atom    16:          charge in WS-cell =    50.559133    spin moment =    0.281798
Atom    17:          charge in WS-cell =    50.559134    spin moment =    0.281738
Atom    18:          charge in WS-cell =    50.559134    spin moment =    0.281738
Atom    19:          charge in WS-cell =    50.559133    spin moment =    0.281798
Atom    20:          charge in WS-cell =    50.559300    spin moment =    0.281816
Atom    21:          charge in WS-cell =    50.559300    spin moment =    0.281816
Atom    22:          charge in WS-cell =    50.647697    spin moment =    0.294832
Atom    23:          charge in WS-cell =    50.647780    spin moment =    0.294750
Atom    24:          charge in WS-cell =    50.647780    spin moment =    0.294750
                    TOTAL mag. moment in unit cell =     4.996524
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION   9 average rms-error : v+ + v- =  1.3727D-01
                                        v+ - v- =  4.1061D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.82817678
                                eV  : -3231103.04620766
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           10
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.729709296597486E-010  4.629525933118040E-006
  0.699422031556328     
 magnetic moment2 is   1.729713251394317E-010  4.629525932153404E-006
 -0.232700445258079     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.810489632843141E-011 -1.169390810842441E-003
  5.453298913129689E-002
 magnetic moment2 is   5.810489632843141E-011 -1.169390810842441E-003
 -1.958454340448512E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.010382303409378E-003  5.895549995260838E-004
  5.454620725712545E-002
 magnetic moment2 is  -1.010382303409378E-003  5.895549995260838E-004
 -1.958361588532684E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.010382206659178E-003  5.895548377409438E-004
  5.454620749403327E-002
 magnetic moment2 is   1.010382206659178E-003  5.895548377409438E-004
 -1.958361599635652E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.395723066201920E-011 -2.211636386570060E-004
  5.836206700446317E-002
 magnetic moment2 is  -1.395723066201920E-011 -2.211636386570060E-004
 -2.420973011568105E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.856229519863651E-004  1.050266204239402E-004
  5.830874968088262E-002
 magnetic moment2 is  -1.856229519863651E-004  1.050266204239402E-004
 -2.425553341134118E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.856232023133050E-004  1.050267777416486E-004
  5.830875108643246E-002
 magnetic moment2 is   1.856232023133050E-004  1.050267777416486E-004
 -2.425553227460413E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.477501689910196E-011 -1.610529595807276E-006
  5.799859155575948E-002
 magnetic moment2 is  -5.477501689910196E-011 -1.610529595807276E-006
 -2.511504742523185E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.917146871284082E-010 -3.306321058738623E-003
  0.200089343751364     
 magnetic moment2 is  -2.917313654104275E-010 -3.311990828426425E-003
 -0.133358470726959     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.867070218104932E-003  1.650456476209240E-003
  0.200028058985531     
 magnetic moment2 is  -2.871981695898993E-003  1.653288007774522E-003
 -0.133422636066130     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.867070406923701E-003  1.650456595653071E-003
  0.200028062069367     
 magnetic moment2 is   2.871981884959876E-003  1.653288127067028E-003
 -0.133422633231289     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.813267856654556E-011  1.883387642656698E-007
  6.657086242243782E-002
 magnetic moment2 is   2.813267856654556E-011  1.883387642656698E-007
 -1.411102976425473E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.321182030965262E-010  9.095191215599327E-004
  0.339721439908075     
 magnetic moment2 is   1.321168057767663E-010  9.108236156545179E-004
  2.562069852535115E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.876612661448335E-004 -4.569078521095033E-004
  0.339687468473546     
 magnetic moment2 is   7.888022034374278E-004 -4.575703237655417E-004
  2.558938781556983E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.876611637868861E-004 -4.569079003137968E-004
  0.339687467822506     
 magnetic moment2 is  -7.888021012742854E-004 -4.575703719531221E-004
  2.558938718232603E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.378642213989292E-005  1.035649107951958E-003
  0.309355633768605     
 magnetic moment2 is  -9.376924372635036E-005  1.035588030923061E-003
 -2.762926035951851E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.531032749239155E-004 -5.983926192064011E-004
  0.309277793313368     
 magnetic moment2 is   8.530600976753054E-004 -5.983451419472311E-004
 -2.842751307488206E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.531031489779376E-004 -5.983923522834706E-004
  0.309277794343407     
 magnetic moment2 is  -8.530599717563652E-004 -5.983448750262562E-004
 -2.842750275659778E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.378683357194498E-005  1.035649254638680E-003
  0.309355628869357     
 magnetic moment2 is   9.376965512374351E-005  1.035588177623773E-003
 -2.762930827083274E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.406126979437147E-004 -4.346633717936985E-004
  0.309363280434730     
 magnetic moment2 is   9.405472515777873E-004 -4.346562979457933E-004
 -2.756573366361079E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.406121736104128E-004 -4.346636583703366E-004
  0.309363286381631     
 magnetic moment2 is  -9.405467272640394E-004 -4.346565845243467E-004
 -2.756567527437012E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.703374142381740E-010  2.793450954322446E-005
  0.323827387049303     
 magnetic moment2 is  -2.703855452252171E-010  2.772264707643503E-005
 -1.073742727751788E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.992102055969148E-005 -1.071886859543234E-005
  0.323746503376853     
 magnetic moment2 is   2.992471084188402E-005 -1.072097267487324E-005
 -1.081740396962869E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.992108888537606E-005 -1.071864152766937E-005
  0.323746509893898     
 magnetic moment2 is  -2.992477916862398E-005 -1.072074560688421E-005
 -1.081739752064984E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
  0.00000  0.00000 -0.00007 -0.00010  0.33233 -0.26465
 Orbital moments are: 
  0.00000  0.00000  0.00332 -0.00096 -0.01561  0.00437
 Orbital moments are: 
  0.00288 -0.00082 -0.00167  0.00048 -0.01561  0.00436
 Orbital moments are: 
 -0.00288  0.00082 -0.00167  0.00048 -0.01561  0.00436
 Orbital moments are: 
  0.00000 -0.00000  0.00268  0.00049 -0.00173  0.00178
 Orbital moments are: 
  0.00233  0.00043 -0.00134 -0.00025 -0.00173  0.00178
 Orbital moments are: 
 -0.00233 -0.00043 -0.00134 -0.00025 -0.00173  0.00178
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00048  0.00464
 Orbital moments are: 
 -0.00000 -0.00000 -0.00635 -0.00374 -0.27249  0.01169
 Orbital moments are: 
 -0.00550 -0.00323  0.00318  0.00186 -0.27241  0.01170
 Orbital moments are: 
  0.00550  0.00323  0.00318  0.00186 -0.27241  0.01170
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00130  0.00438
 Orbital moments are: 
  0.00000  0.00000 -0.00005  0.00186 -0.03392 -0.00079
 Orbital moments are: 
 -0.00005  0.00161  0.00003 -0.00093 -0.03392 -0.00079
 Orbital moments are: 
  0.00005 -0.00161  0.00003 -0.00093 -0.03392 -0.00079
 Orbital moments are: 
  0.00315 -0.00090 -0.00114  0.00002 -0.02946 -0.00220
 Orbital moments are: 
  0.00058 -0.00042  0.00329 -0.00079 -0.02945 -0.00220
 Orbital moments are: 
 -0.00058  0.00042  0.00329 -0.00079 -0.02945 -0.00220
 Orbital moments are: 
 -0.00315  0.00090 -0.00114  0.00002 -0.02946 -0.00220
 Orbital moments are: 
 -0.00255  0.00047 -0.00216  0.00076 -0.02945 -0.00220
 Orbital moments are: 
  0.00255 -0.00047 -0.00216  0.00076 -0.02945 -0.00220
 Orbital moments are: 
 -0.00000 -0.00000 -0.00229  0.00548 -0.02223 -0.01288
 Orbital moments are: 
 -0.00198  0.00471  0.00114 -0.00272 -0.02224 -0.01283
 Orbital moments are: 
  0.00198 -0.00471  0.00114 -0.00272 -0.02224 -0.01283
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.820632    spin moment =    0.699422
Atom     2:          charge in WS-cell =     1.360210    spin moment =    0.054533
Atom     3:          charge in WS-cell =     1.359401    spin moment =    0.054546
Atom     4:          charge in WS-cell =     1.359401    spin moment =    0.054546
Atom     5:          charge in WS-cell =     1.015061    spin moment =    0.058362
Atom     6:          charge in WS-cell =     1.014980    spin moment =    0.058309
Atom     7:          charge in WS-cell =     1.014980    spin moment =    0.058309
Atom     8:          charge in WS-cell =     1.307120    spin moment =    0.057998
Atom     9:          charge in WS-cell =    49.561584    spin moment =    0.200089
Atom    10:          charge in WS-cell =    49.561021    spin moment =    0.200028
Atom    11:          charge in WS-cell =    49.561021    spin moment =    0.200028
Atom    12:          charge in WS-cell =     1.315838    spin moment =    0.066571
Atom    13:          charge in WS-cell =    50.522774    spin moment =    0.339721
Atom    14:          charge in WS-cell =    50.522780    spin moment =    0.339687
Atom    15:          charge in WS-cell =    50.522780    spin moment =    0.339687
Atom    16:          charge in WS-cell =    50.568934    spin moment =    0.309356
Atom    17:          charge in WS-cell =    50.568922    spin moment =    0.309278
Atom    18:          charge in WS-cell =    50.568922    spin moment =    0.309278
Atom    19:          charge in WS-cell =    50.568934    spin moment =    0.309356
Atom    20:          charge in WS-cell =    50.569113    spin moment =    0.309363
Atom    21:          charge in WS-cell =    50.569113    spin moment =    0.309363
Atom    22:          charge in WS-cell =    50.654104    spin moment =    0.323827
Atom    23:          charge in WS-cell =    50.654187    spin moment =    0.323747
Atom    24:          charge in WS-cell =    50.654187    spin moment =    0.323747
                    TOTAL mag. moment in unit cell =     5.609151
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  10 average rms-error : v+ + v- =  1.3538D-01
                                        v+ - v- =  4.4767D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237479.78911360
                                eV  : -3231102.51472180
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           11
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.402185574751619E-010  4.317124792722884E-006
  0.741979687062379     
 magnetic moment2 is   2.402181759782987E-010  4.317124793193706E-006
 -0.208981726447932     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.267442294316528E-011 -1.814840323522808E-003
  5.237829745173028E-002
 magnetic moment2 is   6.267442294316528E-011 -1.814840323522808E-003
 -1.940489375003857E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.569539348345272E-003  9.125707013320867E-004
  5.238857112614326E-002
 magnetic moment2 is  -1.569539348345272E-003  9.125707013320867E-004
 -1.940845924668305E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.569539273100602E-003  9.125705255978197E-004
  5.238857129515961E-002
 magnetic moment2 is   1.569539273100602E-003  9.125705255978197E-004
 -1.940845942350058E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.057326899986001E-011  4.497031996095280E-005
  5.607183597290877E-002
 magnetic moment2 is  -2.057326899986001E-011  4.497031996095280E-005
 -2.403127375083348E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.627263371441540E-005 -2.921949203299511E-005
  5.601802955828894E-002
 magnetic moment2 is   4.627263371441540E-005 -2.921949203299511E-005
 -2.407654158694056E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.627237395233750E-005 -2.921931406604501E-005
  5.601803079468876E-002
 magnetic moment2 is  -4.627237395233750E-005 -2.921931406604501E-005
 -2.407654063056948E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.966085547684791E-011 -1.554107663100196E-006
  5.484262114016569E-002
 magnetic moment2 is  -4.966085547684791E-011 -1.554107663100196E-006
 -2.574787509554596E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.721836558222668E-010 -3.400655438713047E-003
  0.189071471355394     
 magnetic moment2 is  -2.722000853883078E-010 -3.406307825669815E-003
 -0.132816109748330     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.948669979304418E-003  1.697800426731996E-003
  0.189016347737564     
 magnetic moment2 is  -2.953566374791663E-003  1.700622852239489E-003
 -0.132874236548803     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.948670315883108E-003  1.697800604841055E-003
  0.189016349778487     
 magnetic moment2 is   2.953566711613972E-003  1.700623030190262E-003
 -0.132874234767123     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.325285635487624E-011  3.210869521816453E-007
  6.389384808818488E-002
 magnetic moment2 is   2.325285635487624E-011  3.210869521816453E-007
 -1.456266423987677E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.236663456100767E-010  9.631354378687265E-004
  0.326961175377798     
 magnetic moment2 is   1.236646193433777E-010  9.646325702264077E-004
  2.351614936478764E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.344192101574304E-004 -4.837843628729422E-004
  0.326924966736993     
 magnetic moment2 is   8.357271838961657E-004 -4.845430791275935E-004
  2.348322393277266E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.344191077471115E-004 -4.837843990116851E-004
  0.326924965987403     
 magnetic moment2 is  -8.357270817137219E-004 -4.845431152442327E-004
  2.348322320425345E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.112839036086369E-004  1.122963879257933E-003
  0.296139622649314     
 magnetic moment2 is  -1.112931981721822E-004  1.122951026969352E-003
 -5.170660972251828E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.202709677728607E-004 -6.559135882306822E-004
  0.296065135956674     
 magnetic moment2 is   9.202558170655348E-004 -6.559131404405673E-004
 -5.247161478398432E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.202708516547436E-004 -6.559133539104101E-004
  0.296065136870079     
 magnetic moment2 is  -9.202557009742184E-004 -6.559129061187806E-004
 -5.247160565245573E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.112843111005510E-004  1.122964026129881E-003
  0.296139618579558     
 magnetic moment2 is   1.112936056291041E-004  1.122951173853874E-003
 -5.170664909889308E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.025101016257498E-003 -4.637443438926063E-004
  0.296143895271658     
 magnetic moment2 is   1.025090803973441E-003 -4.637378258032236E-004
 -5.167771145355049E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.025100528731210E-003 -4.637446152370411E-004
  0.296143900285084     
 magnetic moment2 is  -1.025090316464728E-003 -4.637380971492982E-004
 -5.167766266036974E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.346808569957809E-010 -4.760478953685771E-005
  0.308220535417612     
 magnetic moment2 is  -2.347293606773208E-010 -4.786693046652911E-005
 -1.478841477974875E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.625831286701149E-005  2.678650220842491E-005
  0.308169352631363     
 magnetic moment2 is  -3.625618849824891E-005  2.678530878894058E-005
 -1.483834800172139E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.625826074980462E-005  2.678669394587130E-005
  0.308169358021987     
 magnetic moment2 is   3.625613637978171E-005  2.678550052661146E-005
 -1.483834271353604E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
  0.00000 -0.00000 -0.00009 -0.00011  0.36126 -0.31048
 Orbital moments are: 
  0.00000  0.00000  0.00340 -0.00137 -0.01741  0.00545
 Orbital moments are: 
  0.00295 -0.00118 -0.00171  0.00069 -0.01742  0.00544
 Orbital moments are: 
 -0.00295  0.00118 -0.00171  0.00069 -0.01742  0.00544
 Orbital moments are: 
  0.00000 -0.00000  0.00289  0.00027 -0.00207  0.00202
 Orbital moments are: 
  0.00251  0.00023 -0.00145 -0.00013 -0.00208  0.00203
 Orbital moments are: 
 -0.00251 -0.00023 -0.00145 -0.00013 -0.00208  0.00203
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00068  0.00439
 Orbital moments are: 
  0.00000 -0.00000 -0.00660 -0.00410 -0.24786  0.01084
 Orbital moments are: 
 -0.00572 -0.00355  0.00330  0.00204 -0.24778  0.01086
 Orbital moments are: 
  0.00572  0.00355  0.00330  0.00204 -0.24778  0.01086
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00119  0.00422
 Orbital moments are: 
  0.00000  0.00000 -0.00001  0.00193 -0.03233 -0.00099
 Orbital moments are: 
 -0.00001  0.00167  0.00000 -0.00096 -0.03233 -0.00099
 Orbital moments are: 
  0.00001 -0.00167  0.00000 -0.00096 -0.03233 -0.00099
 Orbital moments are: 
  0.00316 -0.00097 -0.00105 -0.00012 -0.02803 -0.00230
 Orbital moments are: 
  0.00067 -0.00059  0.00326 -0.00077 -0.02803 -0.00229
 Orbital moments are: 
 -0.00067  0.00059  0.00326 -0.00077 -0.02803 -0.00229
 Orbital moments are: 
 -0.00316  0.00097 -0.00105 -0.00012 -0.02803 -0.00230
 Orbital moments are: 
 -0.00248  0.00038 -0.00221  0.00089 -0.02803 -0.00229
 Orbital moments are: 
  0.00248 -0.00038 -0.00221  0.00089 -0.02803 -0.00229
 Orbital moments are: 
 -0.00000 -0.00000 -0.00270  0.00524 -0.02085 -0.01184
 Orbital moments are: 
 -0.00234  0.00452  0.00135 -0.00261 -0.02086 -0.01180
 Orbital moments are: 
  0.00234 -0.00452  0.00135 -0.00261 -0.02086 -0.01180
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.689498    spin moment =    0.741980
Atom     2:          charge in WS-cell =     1.363817    spin moment =    0.052378
Atom     3:          charge in WS-cell =     1.363006    spin moment =    0.052388
Atom     4:          charge in WS-cell =     1.363006    spin moment =    0.052388
Atom     5:          charge in WS-cell =     1.019213    spin moment =    0.056072
Atom     6:          charge in WS-cell =     1.019122    spin moment =    0.056018
Atom     7:          charge in WS-cell =     1.019122    spin moment =    0.056018
Atom     8:          charge in WS-cell =     1.313852    spin moment =    0.054842
Atom     9:          charge in WS-cell =    49.577646    spin moment =    0.189071
Atom    10:          charge in WS-cell =    49.577076    spin moment =    0.189016
Atom    11:          charge in WS-cell =    49.577076    spin moment =    0.189016
Atom    12:          charge in WS-cell =     1.322054    spin moment =    0.063894
Atom    13:          charge in WS-cell =    50.543053    spin moment =    0.326961
Atom    14:          charge in WS-cell =    50.543079    spin moment =    0.326925
Atom    15:          charge in WS-cell =    50.543079    spin moment =    0.326925
Atom    16:          charge in WS-cell =    50.587815    spin moment =    0.296140
Atom    17:          charge in WS-cell =    50.587771    spin moment =    0.296065
Atom    18:          charge in WS-cell =    50.587771    spin moment =    0.296065
Atom    19:          charge in WS-cell =    50.587815    spin moment =    0.296140
Atom    20:          charge in WS-cell =    50.587990    spin moment =    0.296144
Atom    21:          charge in WS-cell =    50.587990    spin moment =    0.296144
Atom    22:          charge in WS-cell =    50.674053    spin moment =    0.308221
Atom    23:          charge in WS-cell =    50.674098    spin moment =    0.308169
Atom    24:          charge in WS-cell =    50.674098    spin moment =    0.308169
                    TOTAL mag. moment in unit cell =     5.435150
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  11 average rms-error : v+ + v- =  1.0493D-01
                                        v+ - v- =  4.3154D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.28219716
                                eV  : -3231109.22351816
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           12
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.465055100420017E-010  2.801239192752895E-006
  0.784859885703298     
 magnetic moment2 is   3.465040591287731E-010  2.801239192911835E-006
 -0.179632264763665     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.429976386404523E-011 -2.469085347043984E-003
  5.074601237882448E-002
 magnetic moment2 is   6.429976386404523E-011 -2.469085347043984E-003
 -1.865265865842747E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.136123067107373E-003  1.239730866467251E-003
  5.075341002217282E-002
 magnetic moment2 is  -2.136123067107373E-003  1.239730866467251E-003
 -1.866044326383648E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.136123020857516E-003  1.239730680527808E-003
  5.075341007787604E-002
 magnetic moment2 is   2.136123020857516E-003  1.239730680527808E-003
 -1.866044355077984E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.423882058608107E-011  3.031982446215790E-004
  5.406004606565845E-002
 magnetic moment2 is  -2.423882058608107E-011  3.031982446215790E-004
 -2.350766919668486E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.712685663652718E-004 -1.594767754494053E-004
  5.400619128534817E-002
 magnetic moment2 is   2.712685663652718E-004 -1.594767754494053E-004
 -2.355208750649608E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.712682977103583E-004 -1.594765809719989E-004
  5.400619236274273E-002
 magnetic moment2 is  -2.712682977103583E-004 -1.594765809719989E-004
 -2.355208671425570E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.573805245654039E-011 -1.434084487962989E-006
  5.238040334338567E-002
 magnetic moment2 is  -4.573805245654039E-011 -1.434084487962989E-006
 -2.559134019714362E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.341786534652834E-010 -3.337214720064396E-003
  0.179721629053006     
 magnetic moment2 is  -2.341958810041234E-010 -3.342828148614255E-003
 -0.130826966730309     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.893985173855639E-003  1.666232693762140E-003
  0.179672568188307     
 magnetic moment2 is  -2.898847770113889E-003  1.669035266466974E-003
 -0.130879175357892     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.893985670153948E-003  1.666232917434863E-003
  0.179672569330490     
 magnetic moment2 is   2.898848266657710E-003  1.669035489977999E-003
 -0.130879174475558     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.807740539296820E-011  4.526600003384514E-007
  6.146280026298978E-002
 magnetic moment2 is   1.807740539296820E-011  4.526600003384514E-007
 -1.468309658963399E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.161720552655260E-010  9.967471820025724E-004
  0.315044495291884     
 magnetic moment2 is   1.161708347791404E-010  9.983803530373898E-004
  2.187217443880195E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.638320759917803E-004 -5.006565421636522E-004
  0.315006721881183     
 magnetic moment2 is   8.652578596745585E-004 -5.014831480458394E-004
  2.183825105825618E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.638319700837582E-004 -5.006565665068725E-004
  0.315006721045586     
 magnetic moment2 is  -8.652577540234976E-004 -5.014831723628785E-004
  2.183825024722776E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -5.912044790609802E-005  1.186474043156156E-003
  0.284415675081000     
 magnetic moment2 is  -5.915258302982172E-005  1.186503346143639E-003
 -6.495130147174136E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.001540412813764E-003 -6.416119186575671E-004
  0.284343499851337     
 magnetic moment2 is   1.001549903205630E-003 -6.416523114591275E-004
 -6.569302763121593E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.001540301940563E-003 -6.416117256071387E-004
  0.284343500615309     
 magnetic moment2 is  -1.001549792358701E-003 -6.416521184047100E-004
 -6.569302002362956E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.912086242480818E-005  1.186474191002120E-003
  0.284415671556161     
 magnetic moment2 is   5.915299751323372E-005  1.186503494000304E-003
 -6.495133522333774E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.054011934087565E-003 -5.408921679439841E-004
  0.284416672735381     
 magnetic moment2 is   1.054049853396688E-003 -5.408861253509184E-004
 -6.495575584675367E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.054011485642358E-003 -5.408924278154808E-004
  0.284416677070430     
 magnetic moment2 is  -1.054049404968326E-003 -5.408863852242765E-004
 -6.495571404307454E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.074384448122555E-010 -1.085032109612671E-004
  0.294807070024309     
 magnetic moment2 is  -2.074872567866832E-010 -1.087934446878954E-004
 -1.705414131640158E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.949984972729866E-005  5.702746986412547E-005
  0.294775518606152     
 magnetic moment2 is  -8.949884428114606E-005  5.702692897131120E-005
 -1.708428858952614E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.949980620566321E-005  5.702763301559455E-005
  0.294775523217474     
 magnetic moment2 is   8.949880075813812E-005  5.702709212299708E-005
 -1.708428410662291E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
  0.00000 -0.00000 -0.00012 -0.00011  0.38787 -0.36060
 Orbital moments are: 
  0.00000  0.00000  0.00345 -0.00179 -0.01918  0.00670
 Orbital moments are: 
  0.00299 -0.00155 -0.00173  0.00090 -0.01918  0.00670
 Orbital moments are: 
 -0.00299  0.00155 -0.00173  0.00090 -0.01918  0.00670
 Orbital moments are: 
  0.00000 -0.00000  0.00309  0.00003 -0.00240  0.00228
 Orbital moments are: 
  0.00268  0.00002 -0.00155 -0.00001 -0.00240  0.00229
 Orbital moments are: 
 -0.00268 -0.00002 -0.00155 -0.00001 -0.00240  0.00229
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00087  0.00418
 Orbital moments are: 
  0.00000 -0.00000 -0.00697 -0.00432 -0.22891  0.01010
 Orbital moments are: 
 -0.00604 -0.00374  0.00349  0.00215 -0.22883  0.01011
 Orbital moments are: 
  0.00604  0.00374  0.00349  0.00215 -0.22883  0.01011
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00109  0.00406
 Orbital moments are: 
  0.00000  0.00000  0.00005  0.00200 -0.03088 -0.00112
 Orbital moments are: 
  0.00004  0.00173 -0.00003 -0.00100 -0.03088 -0.00112
 Orbital moments are: 
 -0.00004 -0.00173 -0.00003 -0.00100 -0.03088 -0.00112
 Orbital moments are: 
  0.00315 -0.00109 -0.00097 -0.00027 -0.02676 -0.00240
 Orbital moments are: 
  0.00073 -0.00078  0.00321 -0.00081 -0.02675 -0.00240
 Orbital moments are: 
 -0.00073  0.00078  0.00321 -0.00081 -0.02675 -0.00240
 Orbital moments are: 
 -0.00315  0.00109 -0.00097 -0.00027 -0.02676 -0.00240
 Orbital moments are: 
 -0.00241  0.00032 -0.00224  0.00107 -0.02675 -0.00240
 Orbital moments are: 
  0.00241 -0.00032 -0.00224  0.00107 -0.02675 -0.00240
 Orbital moments are: 
 -0.00000 -0.00000 -0.00295  0.00515 -0.01975 -0.01113
 Orbital moments are: 
 -0.00256  0.00444  0.00147 -0.00257 -0.01976 -0.01110
 Orbital moments are: 
  0.00256 -0.00444  0.00147 -0.00257 -0.01976 -0.01110
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.564791    spin moment =    0.784860
Atom     2:          charge in WS-cell =     1.365695    spin moment =    0.050746
Atom     3:          charge in WS-cell =     1.364885    spin moment =    0.050753
Atom     4:          charge in WS-cell =     1.364885    spin moment =    0.050753
Atom     5:          charge in WS-cell =     1.022172    spin moment =    0.054060
Atom     6:          charge in WS-cell =     1.022070    spin moment =    0.054006
Atom     7:          charge in WS-cell =     1.022070    spin moment =    0.054006
Atom     8:          charge in WS-cell =     1.318459    spin moment =    0.052380
Atom     9:          charge in WS-cell =    49.589323    spin moment =    0.179722
Atom    10:          charge in WS-cell =    49.588755    spin moment =    0.179673
Atom    11:          charge in WS-cell =    49.588755    spin moment =    0.179673
Atom    12:          charge in WS-cell =     1.326924    spin moment =    0.061463
Atom    13:          charge in WS-cell =    50.558333    spin moment =    0.315044
Atom    14:          charge in WS-cell =    50.558376    spin moment =    0.315007
Atom    15:          charge in WS-cell =    50.558376    spin moment =    0.315007
Atom    16:          charge in WS-cell =    50.601311    spin moment =    0.284416
Atom    17:          charge in WS-cell =    50.601238    spin moment =    0.284343
Atom    18:          charge in WS-cell =    50.601238    spin moment =    0.284343
Atom    19:          charge in WS-cell =    50.601311    spin moment =    0.284416
Atom    20:          charge in WS-cell =    50.601479    spin moment =    0.284417
Atom    21:          charge in WS-cell =    50.601479    spin moment =    0.284417
Atom    22:          charge in WS-cell =    50.688103    spin moment =    0.294807
Atom    23:          charge in WS-cell =    50.688123    spin moment =    0.294776
Atom    24:          charge in WS-cell =    50.688123    spin moment =    0.294776
                    TOTAL mag. moment in unit cell =     5.287862
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  12 average rms-error : v+ + v- =  8.7293D-02
                                        v+ - v- =  4.1581D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.56501735
                                eV  : -3231113.07151308
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           13
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.388207751577849E-010  5.351163923235524E-007
  0.820138087153223     
 magnetic moment2 is   4.388197170306747E-010  5.351163949900385E-007
 -0.150209988410674     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.080278164635744E-011 -3.018116612722304E-003
  4.937924069550870E-002
 magnetic moment2 is   6.080278164635744E-011 -3.018116612722304E-003
 -1.767505126836516E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.611418559502876E-003  1.514004662030450E-003
  4.938369481038829E-002
 magnetic moment2 is  -2.611418559502876E-003  1.514004662030450E-003
 -1.768693364128351E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.611418543651095E-003  1.514004472956696E-003
  4.938369473478266E-002
 magnetic moment2 is   2.611418543651095E-003  1.514004472956696E-003
 -1.768693405495456E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.680880289897963E-011  5.207183802227110E-004
  5.222836090000654E-002
 magnetic moment2 is  -2.680880289897963E-011  5.207183802227110E-004
 -2.283127316213983E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.607106774414972E-004 -2.691582733813252E-004
  5.217496111178666E-002
 magnetic moment2 is   4.607106774414972E-004 -2.691582733813252E-004
 -2.287445884654305E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.607104046041425E-004 -2.691580674246591E-004
  5.217496204524352E-002
 magnetic moment2 is  -4.607104046041425E-004 -2.691580674246591E-004
 -2.287445819872370E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.262515327065021E-011 -1.279726938316292E-006
  5.029299119331065E-002
 magnetic moment2 is  -4.262515327065021E-011 -1.279726938316292E-006
 -2.507184687215075E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.907302688182455E-010 -3.172040959067176E-003
  0.171290573697983     
 magnetic moment2 is  -1.907465795557284E-010 -3.177584741798711E-003
 -0.128229541985544     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.751302297546044E-003  1.583776343954121E-003
  0.171248226868616     
 magnetic moment2 is  -2.756104489840153E-003  1.586543764768972E-003
 -0.128275185109870     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.751302927734043E-003  1.583776593802828E-003
  0.171248227312328     
 magnetic moment2 is   2.756105120277202E-003  1.586544014454192E-003
 -0.128275184918600     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.355759847567877E-011  5.720918264786041E-007
  5.920220793011055E-002
 magnetic moment2 is   1.355759847567877E-011  5.720918264786041E-007
 -1.463360147138237E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.093971623358780E-010  1.013954697394969E-003
  0.303711380368119     
 magnetic moment2 is   1.093965091040691E-010  1.015685338400611E-003
  2.045916964032292E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.790002898795740E-004 -5.093004680897061E-004
  0.303672332876426     
 magnetic moment2 is   8.805102980973280E-004 -5.101756378103259E-004
  2.042449122387734E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.790001797505584E-004 -5.093004817933887E-004
  0.303672331983702     
 magnetic moment2 is  -8.805101882528166E-004 -5.101756514836386E-004
  2.042449035936543E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.299554395586041E-007  1.247198138358071E-003
  0.273532273603215     
 magnetic moment2 is  -1.825419272754539E-007  1.247265801422099E-003
 -7.354558794408994E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.083714568166047E-003 -6.202132141475372E-004
  0.273462312927197     
 magnetic moment2 is   1.083746653645221E-003 -6.202904786976643E-004
 -7.426459028806773E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.083714459516992E-003 -6.202130610437093E-004
  0.273462313557218     
 magnetic moment2 is  -1.083746545022827E-003 -6.202903255871278E-004
 -7.426458405192682E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.303785818721100E-007  1.247198282207729E-003
  0.273532270484520     
 magnetic moment2 is   1.829650329283981E-007  1.247265945281552E-003
 -7.354561750034683E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.076989854763053E-003 -6.224761726866376E-004
  0.273530129251615     
 magnetic moment2 is   1.077071420151638E-003 -6.224705677955991E-004
 -7.358177583857775E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.076989446060238E-003 -6.224764227931293E-004
  0.273530133062481     
 magnetic moment2 is  -1.077071011464882E-003 -6.224708179035374E-004
 -7.358173944361376E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.853351838589524E-010 -1.734056158675189E-004
  0.282598344678614     
 magnetic moment2 is  -1.853839756265621E-010 -1.737103429453668E-004
 -1.850217649022456E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.460578203243708E-004  8.922810362130176E-005
  0.282580661954699     
 magnetic moment2 is  -1.460576765925202E-004  8.922806660036973E-005
 -1.851841504453909E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.460577827390627E-004  8.922824348875155E-005
  0.282580665970078     
 magnetic moment2 is   1.460576390056712E-004  8.922820646802820E-005
 -1.851841117795155E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00015 -0.00011  0.40839 -0.40639
 Orbital moments are: 
  0.00000  0.00000  0.00346 -0.00217 -0.02067  0.00793
 Orbital moments are: 
  0.00300 -0.00187 -0.00173  0.00109 -0.02067  0.00793
 Orbital moments are: 
 -0.00300  0.00187 -0.00173  0.00109 -0.02067  0.00793
 Orbital moments are: 
  0.00000 -0.00000  0.00326 -0.00021 -0.00268  0.00253
 Orbital moments are: 
  0.00282 -0.00018 -0.00163  0.00011 -0.00268  0.00253
 Orbital moments are: 
 -0.00282  0.00018 -0.00163  0.00011 -0.00268  0.00253
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00103  0.00398
 Orbital moments are: 
  0.00000 -0.00000 -0.00732 -0.00441 -0.21310  0.00948
 Orbital moments are: 
 -0.00633 -0.00382  0.00366  0.00220 -0.21302  0.00949
 Orbital moments are: 
  0.00633  0.00382  0.00366  0.00220 -0.21302  0.00949
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00101  0.00391
 Orbital moments are: 
  0.00000  0.00000  0.00010  0.00205 -0.02952 -0.00121
 Orbital moments are: 
  0.00009  0.00178 -0.00005 -0.00103 -0.02952 -0.00122
 Orbital moments are: 
 -0.00009 -0.00178 -0.00005 -0.00103 -0.02952 -0.00122
 Orbital moments are: 
  0.00312 -0.00122 -0.00090 -0.00040 -0.02559 -0.00249
 Orbital moments are: 
  0.00078 -0.00095  0.00315 -0.00085 -0.02559 -0.00249
 Orbital moments are: 
 -0.00078  0.00095  0.00315 -0.00085 -0.02559 -0.00249
 Orbital moments are: 
 -0.00312  0.00122 -0.00090 -0.00040 -0.02559 -0.00249
 Orbital moments are: 
 -0.00234  0.00027 -0.00226  0.00124 -0.02558 -0.00249
 Orbital moments are: 
  0.00234 -0.00027 -0.00226  0.00124 -0.02558 -0.00249
 Orbital moments are: 
 -0.00000 -0.00000 -0.00312  0.00511 -0.01876 -0.01058
 Orbital moments are: 
 -0.00270  0.00440  0.00156 -0.00255 -0.01878 -0.01055
 Orbital moments are: 
  0.00270 -0.00440  0.00156 -0.00255 -0.01878 -0.01055
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.458862    spin moment =    0.820138
Atom     2:          charge in WS-cell =     1.366841    spin moment =    0.049379
Atom     3:          charge in WS-cell =     1.366036    spin moment =    0.049384
Atom     4:          charge in WS-cell =     1.366036    spin moment =    0.049384
Atom     5:          charge in WS-cell =     1.024678    spin moment =    0.052228
Atom     6:          charge in WS-cell =     1.024566    spin moment =    0.052175
Atom     7:          charge in WS-cell =     1.024566    spin moment =    0.052175
Atom     8:          charge in WS-cell =     1.321939    spin moment =    0.050293
Atom     9:          charge in WS-cell =    49.598870    spin moment =    0.171291
Atom    10:          charge in WS-cell =    49.598310    spin moment =    0.171248
Atom    11:          charge in WS-cell =    49.598310    spin moment =    0.171248
Atom    12:          charge in WS-cell =     1.331149    spin moment =    0.059202
Atom    13:          charge in WS-cell =    50.570976    spin moment =    0.303711
Atom    14:          charge in WS-cell =    50.571036    spin moment =    0.303672
Atom    15:          charge in WS-cell =    50.571036    spin moment =    0.303672
Atom    16:          charge in WS-cell =    50.611844    spin moment =    0.273532
Atom    17:          charge in WS-cell =    50.611743    spin moment =    0.273462
Atom    18:          charge in WS-cell =    50.611743    spin moment =    0.273462
Atom    19:          charge in WS-cell =    50.611844    spin moment =    0.273532
Atom    20:          charge in WS-cell =    50.612002    spin moment =    0.273530
Atom    21:          charge in WS-cell =    50.612002    spin moment =    0.273530
Atom    22:          charge in WS-cell =    50.698892    spin moment =    0.282598
Atom    23:          charge in WS-cell =    50.698892    spin moment =    0.282581
Atom    24:          charge in WS-cell =    50.698892    spin moment =    0.282581
                    TOTAL mag. moment in unit cell =     5.148009
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  13 average rms-error : v+ + v- =  7.4591D-02
                                        v+ - v- =  4.0060D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.76530215
                                eV  : -3231115.79654805
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           14
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.948902472143247E-010 -1.838061954456607E-006
  0.844593219812027     
 magnetic moment2 is   4.948901677999037E-010 -1.838061954282212E-006
 -0.124611118699215     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.249471040150167E-011 -3.422754672153147E-003
  4.809256285357733E-002
 magnetic moment2 is   5.249471040150167E-011 -3.422754672153147E-003
 -1.667757534020042E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.961572293999848E-003  1.715891303007924E-003
  4.809399249367108E-002
 magnetic moment2 is  -2.961572293999848E-003  1.715891303007924E-003
 -1.669345461946881E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.961572306083424E-003  1.715891118723500E-003
  4.809399228815225E-002
 magnetic moment2 is   2.961572306083424E-003  1.715891118723500E-003
 -1.669345515704737E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.884549695457428E-011  6.880511163432296E-004
  5.050003139376669E-002
 magnetic moment2 is  -2.884549695457428E-011  6.880511163432296E-004
 -2.210071829650346E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.063182424298426E-004 -3.534656373225059E-004
  5.044739959436673E-002
 magnetic moment2 is   6.063182424298426E-004 -3.534656373225059E-004
 -2.214247659042121E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.063179708933348E-004 -3.534654249665919E-004
  5.044740040158979E-002
 magnetic moment2 is  -6.063179708933348E-004 -3.534654249665919E-004
 -2.214247606584160E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.022953907996050E-011 -1.120544607402603E-006
  4.838971000557168E-002
 magnetic moment2 is  -4.022953907996050E-011 -1.120544607402603E-006
 -2.441103079587864E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.497756714659293E-010 -2.972783260601200E-003
  0.163355144627061     
 magnetic moment2 is  -1.497931808973341E-010 -2.978232238746168E-003
 -0.125467921163557     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.579064848876587E-003  1.484238836045731E-003
  0.163320135166641     
 magnetic moment2 is  -2.583784826616208E-003  1.486958571154981E-003
 -0.125506377355310     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.579065572850402E-003  1.484239093749488E-003
  0.163320135091912     
 magnetic moment2 is   2.583785550842056E-003  1.486958828694753E-003
 -0.125506377669641     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.002231949234264E-011  6.716393660770837E-007
  5.706345072934604E-002
 magnetic moment2 is   1.002231949234264E-011  6.716393660770837E-007
 -1.448573899066508E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.033585776645182E-010  1.017715395073553E-003
  0.292878368582635     
 magnetic moment2 is   1.033581757507729E-010  1.019512796370068E-003
  1.920758154546148E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.824645236978348E-004 -5.111863826093077E-004
  0.292838217310038     
 magnetic moment2 is   8.840320218413382E-004 -5.120947282601200E-004
  1.917226919386844E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.824644099556737E-004 -5.111863872804385E-004
  0.292838216385583     
 magnetic moment2 is  -8.840319084085833E-004 -5.120947328986828E-004
  1.917226830122078E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.231267118241745E-005  1.301277557840187E-003
  0.263266101617132     
 magnetic moment2 is   4.224156960629371E-005  1.301380414560089E-003
 -7.954625095654311E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.151768430366780E-003 -6.099724693381025E-004
  0.263198423290909     
 magnetic moment2 is   1.151821381667454E-003 -6.100833432382989E-004
 -8.024145786496212E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.151768322166880E-003 -6.099723505911034E-004
  0.263198423811831     
 magnetic moment2 is  -1.151821273494047E-003 -6.100832244824051E-004
 -8.024145275149955E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.231224234493174E-005  1.301277692774940E-003
  0.263266098818995     
 magnetic moment2 is  -4.224114080530529E-005  1.301380549502941E-003
 -7.954627720359930E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.102458595164664E-003 -6.864089633613322E-004
  0.263260851785943     
 magnetic moment2 is   1.102580093451597E-003 -6.864037624888309E-004
 -7.961351681661691E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.102458224413172E-003 -6.864092041292719E-004
  0.263260855180463     
 magnetic moment2 is  -1.102579722715729E-003 -6.864040032582089E-004
 -7.961348472269494E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.669371473738204E-010 -2.374203736856236E-004
  0.271257854540826     
 magnetic moment2 is  -1.669857745459878E-010 -2.377300102818496E-004
 -1.945555088314299E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.017695608035019E-004  1.209647972882807E-004
  0.271250176061672     
 magnetic moment2 is  -2.017700887310642E-004  1.209651542155532E-004
 -1.946182022533544E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.017695281662403E-004  1.209649183699927E-004
  0.271250179610362     
 magnetic moment2 is   2.017700560921564E-004  1.209652752974895E-004
 -1.946181684157197E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00017 -0.00010  0.42253 -0.44317
 Orbital moments are: 
  0.00000  0.00000  0.00343 -0.00247 -0.02178  0.00899
 Orbital moments are: 
  0.00297 -0.00213 -0.00172  0.00124 -0.02179  0.00898
 Orbital moments are: 
 -0.00297  0.00213 -0.00172  0.00124 -0.02179  0.00898
 Orbital moments are: 
  0.00000 -0.00000  0.00338 -0.00041 -0.00290  0.00273
 Orbital moments are: 
  0.00293 -0.00036 -0.00169  0.00021 -0.00290  0.00274
 Orbital moments are: 
 -0.00293  0.00036 -0.00169  0.00021 -0.00290  0.00274
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00116  0.00379
 Orbital moments are: 
  0.00000 -0.00000 -0.00757 -0.00441 -0.19944  0.00896
 Orbital moments are: 
 -0.00655 -0.00382  0.00378  0.00220 -0.19936  0.00898
 Orbital moments are: 
  0.00655  0.00382  0.00378  0.00220 -0.19936  0.00898
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00093  0.00377
 Orbital moments are: 
  0.00000  0.00000  0.00015  0.00208 -0.02826 -0.00129
 Orbital moments are: 
  0.00012  0.00180 -0.00007 -0.00104 -0.02826 -0.00129
 Orbital moments are: 
 -0.00012 -0.00180 -0.00007 -0.00104 -0.02826 -0.00129
 Orbital moments are: 
  0.00310 -0.00131 -0.00083 -0.00049 -0.02450 -0.00254
 Orbital moments are: 
  0.00083 -0.00108  0.00310 -0.00089 -0.02450 -0.00254
 Orbital moments are: 
 -0.00083  0.00108  0.00310 -0.00089 -0.02450 -0.00254
 Orbital moments are: 
 -0.00310  0.00131 -0.00083 -0.00049 -0.02450 -0.00254
 Orbital moments are: 
 -0.00227  0.00024 -0.00227  0.00137 -0.02450 -0.00254
 Orbital moments are: 
  0.00227 -0.00024 -0.00227  0.00137 -0.02450 -0.00254
 Orbital moments are: 
 -0.00000 -0.00000 -0.00323  0.00507 -0.01784 -0.01010
 Orbital moments are: 
 -0.00280  0.00437  0.00161 -0.00253 -0.01786 -0.01007
 Orbital moments are: 
  0.00280 -0.00437  0.00161 -0.00253 -0.01786 -0.01007
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.375131    spin moment =    0.844593
Atom     2:          charge in WS-cell =     1.367606    spin moment =    0.048092
Atom     3:          charge in WS-cell =     1.366810    spin moment =    0.048094
Atom     4:          charge in WS-cell =     1.366810    spin moment =    0.048094
Atom     5:          charge in WS-cell =     1.026943    spin moment =    0.050500
Atom     6:          charge in WS-cell =     1.026822    spin moment =    0.050447
Atom     7:          charge in WS-cell =     1.026822    spin moment =    0.050447
Atom     8:          charge in WS-cell =     1.324696    spin moment =    0.048390
Atom     9:          charge in WS-cell =    49.607009    spin moment =    0.163355
Atom    10:          charge in WS-cell =    49.606462    spin moment =    0.163320
Atom    11:          charge in WS-cell =    49.606462    spin moment =    0.163320
Atom    12:          charge in WS-cell =     1.334927    spin moment =    0.057063
Atom    13:          charge in WS-cell =    50.581690    spin moment =    0.292878
Atom    14:          charge in WS-cell =    50.581766    spin moment =    0.292838
Atom    15:          charge in WS-cell =    50.581766    spin moment =    0.292838
Atom    16:          charge in WS-cell =    50.620268    spin moment =    0.263266
Atom    17:          charge in WS-cell =    50.620140    spin moment =    0.263198
Atom    18:          charge in WS-cell =    50.620141    spin moment =    0.263198
Atom    19:          charge in WS-cell =    50.620268    spin moment =    0.263266
Atom    20:          charge in WS-cell =    50.620414    spin moment =    0.263261
Atom    21:          charge in WS-cell =    50.620414    spin moment =    0.263261
Atom    22:          charge in WS-cell =    50.707379    spin moment =    0.271258
Atom    23:          charge in WS-cell =    50.707365    spin moment =    0.271250
Atom    24:          charge in WS-cell =    50.707365    spin moment =    0.271250
                    TOTAL mag. moment in unit cell =     5.007480
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  14 average rms-error : v+ + v- =  6.4382D-02
                                        v+ - v- =  3.8595D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237480.92861323
                                eV  : -3231118.01852588
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           15
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.215423155873660E-010 -3.919131080868376E-006
  0.858527493377915     
 magnetic moment2 is   5.215426936791567E-010 -3.919131081741370E-006
 -0.104253004475053     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.177824709447608E-011 -3.694620529194280E-003
  4.679497870607807E-002
 magnetic moment2 is   4.177824709447608E-011 -3.694620529194280E-003
 -1.575025838012864E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.196727725010560E-003  1.851313010368528E-003
  4.679331998815428E-002
 magnetic moment2 is  -3.196727725010560E-003  1.851313010368528E-003
 -1.577002374484041E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.196727761118561E-003  1.851312836517882E-003
  4.679331966696298E-002
 magnetic moment2 is   3.196727761118561E-003  1.851312836517882E-003
 -1.577002439080985E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.040861887380203E-011  8.104812185272966E-004
  4.883051461339150E-002
 magnetic moment2 is  -3.040861887380203E-011  8.104812185272966E-004
 -2.136118078543366E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.127152373923251E-004 -4.150707583562319E-004
  4.877875131559822E-002
 magnetic moment2 is   7.127152373923251E-004 -4.150707583562319E-004
 -2.140152556464482E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.127149713017838E-004 -4.150705437778426E-004
  4.877875201482590E-002
 magnetic moment2 is  -7.127149713017838E-004 -4.150705437778426E-004
 -2.140152514255225E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.827818704059054E-011 -9.766807567389411E-007
  4.657252995525285E-002
 magnetic moment2 is  -3.827818704059054E-011 -9.766807567389411E-007
 -2.371375074214843E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.148212709807528E-010 -2.781570360142232E-003
  0.155750270587576     
 magnetic moment2 is  -1.148388892660557E-010 -2.786908900244791E-003
 -0.122706650500704     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.413712847332408E-003  1.388688023350720E-003
  0.155722878795584     
 magnetic moment2 is  -2.418337056494975E-003  1.391352300397344E-003
 -0.122737643519142     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.413713628644376E-003  1.388688276393112E-003
  0.155722878339861     
 magnetic moment2 is   2.418337838063890E-003  1.391352553278808E-003
 -0.122737644198079     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.420219183932672E-012  7.490178238559259E-007
  5.501797889305726E-002
 magnetic moment2 is   7.420219183932672E-012  7.490178238559259E-007
 -1.427245916034076E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.811587685978201E-011  1.011520693419941E-003
  0.282516835823266     
 magnetic moment2 is   9.811518123566815E-011  1.013359343844585E-003
  1.809731030755594E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.772467561660069E-004 -5.080632952620467E-004
  0.282475742637900     
 magnetic moment2 is   8.788495588796598E-004 -5.089920332009490E-004
  1.806147388900610E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.772466397745319E-004 -5.080632925600062E-004
  0.282475741699139     
 magnetic moment2 is  -8.788494428203710E-004 -5.089920304629531E-004
  1.806147298567796E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   6.620649655657198E-005  1.342309401208077E-003
  0.253538154689584     
 magnetic moment2 is   6.611859699969945E-005  1.342444468802288E-003
 -8.361914137260826E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.199174809147839E-003 -6.094001082526812E-004
  0.253472735145697     
 magnetic moment2 is   1.199246944851424E-003 -6.095416096154181E-004
 -8.429041792622161E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.199174700398109E-003 -6.094000173388908E-004
  0.253472735581922     
 magnetic moment2 is  -1.199246836127764E-003 -6.095415186905084E-004
 -8.429041369136359E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.620606587735963E-005  1.342309524276225E-003
  0.253538152150234     
 magnetic moment2 is  -6.611816635794824E-005  1.342444591876580E-003
 -8.361916495100291E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.125931213928486E-003 -7.277588017159818E-004
  0.253529788441457     
 magnetic moment2 is   1.126089195316296E-003 -7.277539667308829E-004
 -8.371730486814138E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.125930877489497E-003 -7.277590332684675E-004
  0.253529791502030     
 magnetic moment2 is  -1.126088858892268E-003 -7.277541982844363E-004
 -8.371727622717220E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.514452969260882E-010 -2.945291401902533E-004
  0.260656204214759     
 magnetic moment2 is  -1.514935947616813E-010 -2.948366205915325E-004
 -2.003286565599047E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.514631139532091E-004  1.492672150882360E-004
  0.260655820937408     
 magnetic moment2 is  -2.514641583860346E-004  1.492678761795324E-004
 -2.003192446487018E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.514630860526775E-004  1.492673212227177E-004
  0.260655824120156     
 magnetic moment2 is   2.514641304837861E-004  1.492679823142550E-004
 -2.003192145997024E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00018 -0.00009  0.43160 -0.47014
 Orbital moments are: 
  0.00000  0.00000  0.00339 -0.00270 -0.02255  0.00980
 Orbital moments are: 
  0.00293 -0.00233 -0.00170  0.00135 -0.02256  0.00980
 Orbital moments are: 
 -0.00293  0.00233 -0.00170  0.00135 -0.02256  0.00980
 Orbital moments are: 
  0.00000 -0.00000  0.00346 -0.00058 -0.00306  0.00289
 Orbital moments are: 
  0.00300 -0.00051 -0.00173  0.00029 -0.00306  0.00290
 Orbital moments are: 
 -0.00300  0.00051 -0.00173  0.00029 -0.00306  0.00290
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00125  0.00362
 Orbital moments are: 
  0.00000 -0.00000 -0.00772 -0.00437 -0.18749  0.00851
 Orbital moments are: 
 -0.00668 -0.00378  0.00386  0.00217 -0.18740  0.00852
 Orbital moments are: 
  0.00668  0.00378  0.00386  0.00217 -0.18740  0.00852
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00086  0.00363
 Orbital moments are: 
  0.00000  0.00000  0.00018  0.00209 -0.02708 -0.00135
 Orbital moments are: 
  0.00015  0.00181 -0.00009 -0.00105 -0.02707 -0.00135
 Orbital moments are: 
 -0.00015 -0.00181 -0.00009 -0.00105 -0.02707 -0.00135
 Orbital moments are: 
  0.00307 -0.00138 -0.00077 -0.00056 -0.02349 -0.00256
 Orbital moments are: 
  0.00087 -0.00117  0.00304 -0.00091 -0.02349 -0.00255
 Orbital moments are: 
 -0.00087  0.00117  0.00304 -0.00091 -0.02349 -0.00255
 Orbital moments are: 
 -0.00307  0.00138 -0.00077 -0.00056 -0.02349 -0.00256
 Orbital moments are: 
 -0.00220  0.00021 -0.00228  0.00147 -0.02348 -0.00255
 Orbital moments are: 
  0.00220 -0.00021 -0.00228  0.00147 -0.02348 -0.00255
 Orbital moments are: 
 -0.00000 -0.00000 -0.00331  0.00501 -0.01697 -0.00967
 Orbital moments are: 
 -0.00286  0.00432  0.00165 -0.00250 -0.01699 -0.00964
 Orbital moments are: 
  0.00286 -0.00432  0.00165 -0.00250 -0.01699 -0.00964
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.311536    spin moment =    0.858527
Atom     2:          charge in WS-cell =     1.368091    spin moment =    0.046795
Atom     3:          charge in WS-cell =     1.367306    spin moment =    0.046793
Atom     4:          charge in WS-cell =     1.367306    spin moment =    0.046793
Atom     5:          charge in WS-cell =     1.028992    spin moment =    0.048830
Atom     6:          charge in WS-cell =     1.028862    spin moment =    0.048779
Atom     7:          charge in WS-cell =     1.028862    spin moment =    0.048779
Atom     8:          charge in WS-cell =     1.326903    spin moment =    0.046572
Atom     9:          charge in WS-cell =    49.613938    spin moment =    0.155750
Atom    10:          charge in WS-cell =    49.613408    spin moment =    0.155723
Atom    11:          charge in WS-cell =    49.613408    spin moment =    0.155723
Atom    12:          charge in WS-cell =     1.338291    spin moment =    0.055018
Atom    13:          charge in WS-cell =    50.590671    spin moment =    0.282517
Atom    14:          charge in WS-cell =    50.590761    spin moment =    0.282476
Atom    15:          charge in WS-cell =    50.590761    spin moment =    0.282476
Atom    16:          charge in WS-cell =    50.626921    spin moment =    0.253538
Atom    17:          charge in WS-cell =    50.626770    spin moment =    0.253473
Atom    18:          charge in WS-cell =    50.626770    spin moment =    0.253473
Atom    19:          charge in WS-cell =    50.626921    spin moment =    0.253538
Atom    20:          charge in WS-cell =    50.627055    spin moment =    0.253530
Atom    21:          charge in WS-cell =    50.627055    spin moment =    0.253530
Atom    22:          charge in WS-cell =    50.713980    spin moment =    0.260656
Atom    23:          charge in WS-cell =    50.713956    spin moment =    0.260656
Atom    24:          charge in WS-cell =    50.713956    spin moment =    0.260656
                    TOTAL mag. moment in unit cell =     4.864600
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  15 average rms-error : v+ + v- =  5.6086D-02
                                        v+ - v- =  3.7186D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.06706752
                                eV  : -3231119.90230720
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           16
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.330233588153057E-010 -5.591485346748300E-006
  0.863955375083758     
 magnetic moment2 is   5.330233992967043E-010 -5.591485346442194E-006
 -8.879267390056766E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.084758230104123E-011 -3.863716803938255E-003
  4.546439854454676E-002
 magnetic moment2 is   3.084758230104123E-011 -3.863716803938255E-003
 -1.491223220020013E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.342914939138250E-003  1.935347620899489E-003
  4.545962136786763E-002
 magnetic moment2 is  -3.342914939138250E-003  1.935347620899489E-003
 -1.493574938320713E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.342914995287594E-003  1.935347460237116E-003
  4.545962095014966E-002
 magnetic moment2 is   3.342914995287594E-003  1.935347460237116E-003
 -1.493575011738771E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.148415306675895E-011  8.980756252588114E-004
  4.720233231662252E-002
 magnetic moment2 is  -3.148415306675895E-011  8.980756252588114E-004
 -2.062901996255284E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.887052188703691E-004 -4.590675421837756E-004
  4.715140468228091E-002
 magnetic moment2 is   7.887052188703691E-004 -4.590675421837756E-004
 -2.066809105272197E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.887049606933460E-004 -4.590673283717478E-004
  4.715140529021233E-002
 magnetic moment2 is  -7.887049606933460E-004 -4.590673283717478E-004
 -2.066809071468414E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.649316886970567E-011 -8.558273553041621E-007
  4.480591192116934E-002
 magnetic moment2 is  -3.649316886970567E-011 -8.558273553041621E-007
 -2.301843207432416E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.623808655031096E-011 -2.612308955455185E-003
  0.148440735388641     
 magnetic moment2 is  -8.625653186503102E-011 -2.617529490075797E-003
 -0.119976310253049     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.267295990302061E-003  1.304091503017753E-003
  0.148420909271303     
 magnetic moment2 is  -2.271817868968874E-003  1.306696580486188E-003
 -0.119999897228227     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.267296802217044E-003  1.304091744507163E-003
  0.148420908533769     
 magnetic moment2 is   2.271818681143264E-003  1.306696821817241E-003
 -0.119999898170689     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.571279347057877E-012  8.060222158867430E-007
  5.305208709619236E-002
 magnetic moment2 is   5.571279347057877E-012  8.060222158867430E-007
 -1.401006414118713E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.362758441808228E-011  9.985686751495867E-004
  0.272605521273338     
 magnetic moment2 is   9.362688239717559E-011  1.000427803167858E-003
  1.711582315543078E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.661271872818378E-004 -5.015380123850256E-004
  0.272563662742083     
 magnetic moment2 is   8.677472533508710E-004 -5.024767326286875E-004
  1.707958672677301E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.661270690877338E-004 -5.015380037328312E-004
  0.272563661799770     
 magnetic moment2 is  -8.677471355092491E-004 -5.024767239384367E-004
  1.707958582351891E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   7.734197920518230E-005  1.368199520269690E-003
  0.244304801695737     
 magnetic moment2 is   7.723883416076529E-005  1.368363965324232E-003
 -8.607906298310777E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.227039358000303E-003 -6.124162063148234E-004
  0.244241501287259     
 magnetic moment2 is   1.227129040136407E-003 -6.125855701214080E-004
 -8.672747543756298E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.227039248135217E-003 -6.124161375034270E-004
  0.244241501659545     
 magnetic moment2 is  -1.227128930297682E-003 -6.125855012968404E-004
 -8.672747187270707E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -7.734154980826584E-005  1.368199630318636E-003
  0.244304799367743     
 magnetic moment2 is  -7.723840480182453E-005  1.368364075378740E-003
 -8.607908438403047E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.142722198570859E-003 -7.504755196335495E-004
  0.244293302036352     
 magnetic moment2 is   1.142913420738183E-003 -7.504710106875159E-004
 -8.620801256686711E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.142721892220263E-003 -7.504757422201016E-004
  0.244293304827560     
 magnetic moment2 is  -1.142913114401831E-003 -7.504712332751721E-004
 -8.620798671372470E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.383525174579372E-010 -3.425518033632633E-004
  0.250711091195188     
 magnetic moment2 is  -1.384003738165700E-010 -3.428520231921508E-004
 -2.030521024223154E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.932668255187393E-004  1.730663104190903E-004
  0.250716096870441     
 magnetic moment2 is  -2.932682589924888E-004  1.730672018623459E-004
 -2.029899703617213E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.932668024092739E-004  1.730664048063399E-004
  0.250716099764809     
 magnetic moment2 is   2.932682358812159E-004  1.730672962498542E-004
 -2.029899433017472E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00019 -0.00008  0.43717 -0.48869
 Orbital moments are: 
  0.00000  0.00000  0.00333 -0.00286 -0.02306  0.01040
 Orbital moments are: 
  0.00289 -0.00247 -0.00167  0.00143 -0.02306  0.01040
 Orbital moments are: 
 -0.00289  0.00247 -0.00167  0.00143 -0.02306  0.01040
 Orbital moments are: 
  0.00000 -0.00000  0.00351 -0.00072 -0.00317  0.00301
 Orbital moments are: 
  0.00304 -0.00063 -0.00176  0.00036 -0.00318  0.00301
 Orbital moments are: 
 -0.00304  0.00063 -0.00176  0.00036 -0.00318  0.00301
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00132  0.00346
 Orbital moments are: 
  0.00000 -0.00000 -0.00779 -0.00430 -0.17692  0.00809
 Orbital moments are: 
 -0.00674 -0.00372  0.00389  0.00214 -0.17683  0.00810
 Orbital moments are: 
  0.00674  0.00372  0.00389  0.00214 -0.17683  0.00810
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00080  0.00350
 Orbital moments are: 
  0.00000  0.00000  0.00019  0.00208 -0.02598 -0.00138
 Orbital moments are: 
  0.00016  0.00180 -0.00010 -0.00104 -0.02597 -0.00138
 Orbital moments are: 
 -0.00016 -0.00180 -0.00010 -0.00104 -0.02597 -0.00138
 Orbital moments are: 
  0.00305 -0.00142 -0.00070 -0.00061 -0.02254 -0.00255
 Orbital moments are: 
  0.00092 -0.00123  0.00299 -0.00092 -0.02253 -0.00254
 Orbital moments are: 
 -0.00092  0.00123  0.00299 -0.00092 -0.02253 -0.00254
 Orbital moments are: 
 -0.00305  0.00142 -0.00070 -0.00061 -0.02254 -0.00255
 Orbital moments are: 
 -0.00213  0.00019 -0.00229  0.00153 -0.02253 -0.00254
 Orbital moments are: 
  0.00213 -0.00019 -0.00229  0.00153 -0.02253 -0.00254
 Orbital moments are: 
 -0.00000 -0.00000 -0.00336  0.00493 -0.01615 -0.00927
 Orbital moments are: 
 -0.00291  0.00425  0.00168 -0.00246 -0.01616 -0.00924
 Orbital moments are: 
  0.00291 -0.00425  0.00168 -0.00246 -0.01616 -0.00924
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.263885    spin moment =    0.863955
Atom     2:          charge in WS-cell =     1.368325    spin moment =    0.045464
Atom     3:          charge in WS-cell =     1.367553    spin moment =    0.045460
Atom     4:          charge in WS-cell =     1.367553    spin moment =    0.045460
Atom     5:          charge in WS-cell =     1.030814    spin moment =    0.047202
Atom     6:          charge in WS-cell =     1.030675    spin moment =    0.047151
Atom     7:          charge in WS-cell =     1.030675    spin moment =    0.047151
Atom     8:          charge in WS-cell =     1.328652    spin moment =    0.044806
Atom     9:          charge in WS-cell =    49.619754    spin moment =    0.148441
Atom    10:          charge in WS-cell =    49.619244    spin moment =    0.148421
Atom    11:          charge in WS-cell =    49.619244    spin moment =    0.148421
Atom    12:          charge in WS-cell =     1.341251    spin moment =    0.053052
Atom    13:          charge in WS-cell =    50.598050    spin moment =    0.272605
Atom    14:          charge in WS-cell =    50.598153    spin moment =    0.272564
Atom    15:          charge in WS-cell =    50.598153    spin moment =    0.272564
Atom    16:          charge in WS-cell =    50.632043    spin moment =    0.244305
Atom    17:          charge in WS-cell =    50.631870    spin moment =    0.244241
Atom    18:          charge in WS-cell =    50.631870    spin moment =    0.244241
Atom    19:          charge in WS-cell =    50.632043    spin moment =    0.244305
Atom    20:          charge in WS-cell =    50.632165    spin moment =    0.244293
Atom    21:          charge in WS-cell =    50.632165    spin moment =    0.244293
Atom    22:          charge in WS-cell =    50.718991    spin moment =    0.250711
Atom    23:          charge in WS-cell =    50.718959    spin moment =    0.250716
Atom    24:          charge in WS-cell =    50.718959    spin moment =    0.250716
                    TOTAL mag. moment in unit cell =     4.720539
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  16 average rms-error : v+ + v- =  4.9644D-02
                                        v+ - v- =  3.5830D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.18236599
                                eV  : -3231121.47103512
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           17
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.391025717574056E-010 -6.877610801178365E-006
  0.863093965259286     
 magnetic moment2 is   5.391018266123575E-010 -6.877610803480974E-006
 -7.725534964262087E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.086960595656939E-011 -3.958629377307787E-003
  4.410858887212710E-002
 magnetic moment2 is   2.086960595656939E-011 -3.958629377307787E-003
 -1.415556711624710E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.424907379173973E-003  1.982326093576979E-003
  4.410070375531983E-002
 magnetic moment2 is  -3.424907379173973E-003  1.982326093576979E-003
 -1.418267455895303E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.424907451809808E-003  1.982325946851284E-003
  4.410070325987192E-002
 magnetic moment2 is   3.424907451809808E-003  1.982325946851284E-003
 -1.418267536177564E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.211340427518999E-011  9.600451184768319E-004
  4.561179734071763E-002
 magnetic moment2 is  -3.211340427518999E-011  9.600451184768319E-004
 -1.990973248727061E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.423410873334041E-004 -4.901177108873558E-004
  4.556161553869170E-002
 magnetic moment2 is   8.423410873334041E-004 -4.901177108873558E-004
 -1.994771656317064E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.423408383067775E-004 -4.901174998196070E-004
  4.556161606949038E-002
 magnetic moment2 is  -8.423408383067775E-004 -4.901174998196070E-004
 -1.994771629389944E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.471953800001715E-011 -7.576442477735711E-007
  4.308294308330451E-002
 magnetic moment2 is  -3.471953800001715E-011 -7.576442477735711E-007
 -2.233616934988308E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -6.313874510027739E-011 -2.465063346078697E-003
  0.141427264865911     
 magnetic moment2 is  -6.315800746975464E-011 -2.470163413633752E-003
 -0.117271942008908     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.139887613404778E-003  1.230493774590168E-003
  0.141414742042430     
 magnetic moment2 is  -2.144305026558409E-003  1.233038461466919E-003
 -0.117288389555590     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.139888437940998E-003  1.230494001352826E-003
  0.141414741094147     
 magnetic moment2 is   2.144305851357578E-003  1.233038688070937E-003
 -0.117288390689624     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   4.297552704850122E-012  8.461098833391492E-007
  5.115938636349959E-002
 magnetic moment2 is   4.297552704850122E-012  8.461098833391492E-007
 -1.370963579152665E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.978246466596895E-011  9.812805446881220E-004
  0.263118363545606     
 magnetic moment2 is   8.978185447698628E-011  9.831438392891912E-004
  1.624745900908206E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.512153190917338E-004 -4.928285757433655E-004
  0.263075920323837     
 magnetic moment2 is   8.528384989062928E-004 -4.937691024649080E-004
  1.621095303457525E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.512151997261509E-004 -4.928285622725056E-004
  0.263075919384626     
 magnetic moment2 is  -8.528383799116006E-004 -4.937690889543679E-004
  1.621095213797803E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.146525854339022E-005  1.380252532912747E-003
  0.235524532187977     
 magnetic moment2 is   8.134826890627070E-005  1.380443721225335E-003
 -8.721062851647782E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.239385353832564E-003 -6.146757632766837E-004
  0.235463144015021     
 magnetic moment2 is   1.239491036335263E-003 -6.148704557937805E-004
 -8.783797195860310E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.239385242555700E-003 -6.146757120677240E-004
  0.235463144339534     
 magnetic moment2 is  -1.239490925084609E-003 -6.148704045702622E-004
 -8.783796889968887E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.146483257718000E-005  1.380252629893870E-003
  0.235524530034727     
 magnetic moment2 is  -8.134784297794532E-005  1.380443818210179E-003
 -8.721064811956808E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.151089183638260E-003 -7.601757926216138E-004
  0.235509892388334     
 magnetic moment2 is   1.151310651152709E-003 -7.601715724655422E-004
 -8.737016669732242E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.151088903421080E-003 -7.601760066387445E-004
  0.235509894960262     
 magnetic moment2 is  -1.151310370949084E-003 -7.601717864840075E-004
 -8.737014311484409E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.272483203876296E-010 -3.819049798482311E-004
  0.241345951540539     
 magnetic moment2 is  -1.272956978406103E-010 -3.821944417394311E-004
 -2.033682873521621E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.275476413498949E-004  1.925746837526105E-004
  0.241355004681678     
 magnetic moment2 is  -3.275493610871747E-004  1.925757459580282E-004
 -2.032670535284778E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.275476230833785E-004  1.925747689626675E-004
  0.241355007345543     
 magnetic moment2 is   3.275493428186799E-004  1.925758311683712E-004
 -2.032670288579320E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00019 -0.00007  0.44038 -0.50074
 Orbital moments are: 
  0.00000 -0.00000  0.00328 -0.00298 -0.02337  0.01081
 Orbital moments are: 
  0.00284 -0.00257 -0.00164  0.00149 -0.02337  0.01081
 Orbital moments are: 
 -0.00284  0.00257 -0.00164  0.00149 -0.02337  0.01081
 Orbital moments are: 
  0.00000 -0.00000  0.00353 -0.00083 -0.00325  0.00309
 Orbital moments are: 
  0.00307 -0.00072 -0.00177  0.00042 -0.00326  0.00309
 Orbital moments are: 
 -0.00307  0.00072 -0.00177  0.00042 -0.00326  0.00309
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00136  0.00332
 Orbital moments are: 
  0.00000 -0.00000 -0.00780 -0.00422 -0.16750  0.00769
 Orbital moments are: 
 -0.00675 -0.00365  0.00390  0.00210 -0.16741  0.00770
 Orbital moments are: 
  0.00675  0.00365  0.00390  0.00210 -0.16741  0.00770
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00075  0.00338
 Orbital moments are: 
  0.00000  0.00000  0.00020  0.00206 -0.02494 -0.00140
 Orbital moments are: 
  0.00017  0.00179 -0.00010 -0.00103 -0.02494 -0.00140
 Orbital moments are: 
 -0.00017 -0.00179 -0.00010 -0.00103 -0.02494 -0.00140
 Orbital moments are: 
  0.00302 -0.00145 -0.00063 -0.00064 -0.02164 -0.00252
 Orbital moments are: 
  0.00096 -0.00127  0.00293 -0.00094 -0.02163 -0.00251
 Orbital moments are: 
 -0.00096  0.00127  0.00293 -0.00094 -0.02163 -0.00251
 Orbital moments are: 
 -0.00302  0.00145 -0.00063 -0.00064 -0.02164 -0.00252
 Orbital moments are: 
 -0.00206  0.00018 -0.00230  0.00157 -0.02163 -0.00251
 Orbital moments are: 
  0.00206 -0.00018 -0.00230  0.00157 -0.02163 -0.00251
 Orbital moments are: 
 -0.00000 -0.00000 -0.00340  0.00484 -0.01536 -0.00890
 Orbital moments are: 
 -0.00294  0.00418  0.00169 -0.00242 -0.01538 -0.00888
 Orbital moments are: 
  0.00294 -0.00418  0.00169 -0.00242 -0.01538 -0.00888
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.228115    spin moment =    0.863094
Atom     2:          charge in WS-cell =     1.368334    spin moment =    0.044108
Atom     3:          charge in WS-cell =     1.367577    spin moment =    0.044101
Atom     4:          charge in WS-cell =     1.367577    spin moment =    0.044101
Atom     5:          charge in WS-cell =     1.032411    spin moment =    0.045612
Atom     6:          charge in WS-cell =     1.032266    spin moment =    0.045562
Atom     7:          charge in WS-cell =     1.032266    spin moment =    0.045562
Atom     8:          charge in WS-cell =     1.330021    spin moment =    0.043083
Atom     9:          charge in WS-cell =    49.624588    spin moment =    0.141427
Atom    10:          charge in WS-cell =    49.624099    spin moment =    0.141415
Atom    11:          charge in WS-cell =    49.624099    spin moment =    0.141415
Atom    12:          charge in WS-cell =     1.343832    spin moment =    0.051159
Atom    13:          charge in WS-cell =    50.604014    spin moment =    0.263118
Atom    14:          charge in WS-cell =    50.604129    spin moment =    0.263076
Atom    15:          charge in WS-cell =    50.604129    spin moment =    0.263076
Atom    16:          charge in WS-cell =    50.635879    spin moment =    0.235525
Atom    17:          charge in WS-cell =    50.635688    spin moment =    0.235463
Atom    18:          charge in WS-cell =    50.635688    spin moment =    0.235463
Atom    19:          charge in WS-cell =    50.635879    spin moment =    0.235525
Atom    20:          charge in WS-cell =    50.635989    spin moment =    0.235510
Atom    21:          charge in WS-cell =    50.635989    spin moment =    0.235510
Atom    22:          charge in WS-cell =    50.722697    spin moment =    0.241346
Atom    23:          charge in WS-cell =    50.722658    spin moment =    0.241355
Atom    24:          charge in WS-cell =    50.722658    spin moment =    0.241355
                    TOTAL mag. moment in unit cell =     4.576958
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  17 average rms-error : v+ + v- =  4.4897D-02
                                        v+ - v- =  3.4524D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.27560609
                                eV  : -3231122.73964131
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           18
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.443292417148379E-010 -7.838505692248965E-006
  0.857733757395855     
 magnetic moment2 is   5.443282090088805E-010 -7.838505693131767E-006
 -6.868056794252780E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.225224045484086E-011 -4.000894754481579E-003
  4.274184673262782E-002
 magnetic moment2 is   1.225224045484086E-011 -4.000894754481579E-003
 -1.346777715459796E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.461357758406407E-003  2.003031163899188E-003
  4.273090158978488E-002
 magnetic moment2 is  -3.461357758406407E-003  2.003031163899188E-003
 -1.349829076468292E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.461357844492662E-003  2.003031030776859E-003
  4.273090103307586E-002
 magnetic moment2 is   3.461357844492662E-003  2.003031030776859E-003
 -1.349829161914262E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.237491047816676E-011  1.003328905603643E-003
  4.405972434690125E-002
 magnetic moment2 is  -3.237491047816676E-011  1.003328905603643E-003
 -1.920621819280308E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.796876773541186E-004 -5.117333260170243E-004
  4.401018490128017E-002
 magnetic moment2 is   8.796876773541186E-004 -5.117333260170243E-004
 -1.924330421764160E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.796874379634807E-004 -5.117331189457766E-004
  4.401018536653634E-002
 magnetic moment2 is  -8.796874379634807E-004 -5.117331189457766E-004
 -1.924330400487376E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.289857234049162E-011 -6.787382062297913E-007
  4.140518814205663E-002
 magnetic moment2 is  -3.289857234049162E-011 -6.787382062297913E-007
 -2.167034503716181E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -4.446029308602384E-011 -2.336290573160579E-003
  0.134710554597884     
 magnetic moment2 is  -4.447888888800544E-011 -2.341270423317270E-003
 -0.114588828242568     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.028433753542031E-003  1.166129916597342E-003
  0.134704971697353     
 magnetic moment2 is  -2.032746917645089E-003  1.168614375006063E-003
 -0.114598501956257     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.028434578952875E-003  1.166130127542572E-003
  0.134704970590297     
 magnetic moment2 is   2.032747743321559E-003  1.168614585795467E-003
 -0.114598503229798     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.446182167253288E-012  8.728210587906150E-007
  4.933598107261794E-002
 magnetic moment2 is   3.446182167253288E-012  8.728210587906150E-007
 -1.338092127419035E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.645939205461500E-011  9.613290322669464E-004
  0.254026158843304     
 magnetic moment2 is   8.645838363817437E-011  9.631840794561228E-004
  1.547452994066439E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.339701708893092E-004 -4.827770090005315E-004
  0.253983302810285     
 magnetic moment2 is   8.355857089654342E-004 -4.837131190402711E-004
  1.543788028979147E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.339700508226350E-004 -4.827769915917989E-004
  0.253983301878272     
 magnetic moment2 is  -8.355855892863554E-004 -4.837131015906106E-004
  1.543787940389661E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.216729921822579E-005  1.381037230344184E-003
  0.227155054603626     
 magnetic moment2 is   8.203772867141637E-005  1.381252751565393E-003
 -8.730263519852857E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.240247319360251E-003 -6.143324950500038E-004
  0.227095352085371     
 magnetic moment2 is   1.240367576484307E-003 -6.145502140622160E-004
 -8.791096428389975E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.240247206562878E-003 -6.143324580273714E-004
  0.227095352374393     
 magnetic moment2 is  -1.240367463714411E-003 -6.145501770235915E-004
 -8.791096160525966E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.216687810442018E-005  1.381037314756637E-003
  0.227155052596962     
 magnetic moment2 is  -8.203730759597015E-005  1.381252835980976E-003
 -8.730265329599640E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.151452549387956E-003 -7.612511762430509E-004
  0.227137284661412     
 magnetic moment2 is   1.151701529778211E-003 -7.612472126077340E-004
 -8.749241933209542E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.151452291921416E-003 -7.612513821498162E-004
  0.227137287052508     
 magnetic moment2 is  -1.151701272324905E-003 -7.612474185153466E-004
 -8.749239762280259E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.177585507133438E-010 -4.138696622483904E-004
  0.232488682582575     
 magnetic moment2 is  -1.178054188759065E-010 -4.141461372992140E-004
 -2.018696614896642E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.554182482768270E-004  2.084289103620271E-004
  0.232500833022251     
 magnetic moment2 is  -3.554201725051664E-004  2.084300958251328E-004
 -2.017389499423272E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.554182348327500E-004  2.084289883974304E-004
  0.232500835498456     
 magnetic moment2 is   3.554201590590301E-004  2.084301738608637E-004
 -2.017389272167294E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00019 -0.00007  0.44198 -0.50791
 Orbital moments are: 
  0.00000 -0.00000  0.00322 -0.00306 -0.02354  0.01108
 Orbital moments are: 
  0.00279 -0.00264 -0.00161  0.00153 -0.02354  0.01108
 Orbital moments are: 
 -0.00279  0.00264 -0.00161  0.00153 -0.02354  0.01108
 Orbital moments are: 
  0.00000 -0.00000  0.00355 -0.00092 -0.00331  0.00314
 Orbital moments are: 
  0.00308 -0.00080 -0.00177  0.00046 -0.00331  0.00314
 Orbital moments are: 
 -0.00308  0.00080 -0.00177  0.00046 -0.00331  0.00314
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00139  0.00319
 Orbital moments are: 
  0.00000 -0.00000 -0.00777 -0.00414 -0.15901  0.00731
 Orbital moments are: 
 -0.00672 -0.00358  0.00388  0.00206 -0.15892  0.00733
 Orbital moments are: 
  0.00672  0.00358  0.00388  0.00206 -0.15892  0.00733
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00071  0.00326
 Orbital moments are: 
  0.00000  0.00000  0.00020  0.00204 -0.02397 -0.00141
 Orbital moments are: 
  0.00017  0.00176 -0.00010 -0.00102 -0.02396 -0.00141
 Orbital moments are: 
 -0.00017 -0.00176 -0.00010 -0.00102 -0.02396 -0.00141
 Orbital moments are: 
  0.00300 -0.00147 -0.00057 -0.00065 -0.02078 -0.00248
 Orbital moments are: 
  0.00100 -0.00129  0.00288 -0.00094 -0.02078 -0.00247
 Orbital moments are: 
 -0.00100  0.00129  0.00288 -0.00094 -0.02078 -0.00247
 Orbital moments are: 
 -0.00300  0.00147 -0.00057 -0.00065 -0.02078 -0.00248
 Orbital moments are: 
 -0.00199  0.00018 -0.00231  0.00159 -0.02078 -0.00247
 Orbital moments are: 
  0.00199 -0.00018 -0.00231  0.00159 -0.02078 -0.00247
 Orbital moments are: 
 -0.00000 -0.00000 -0.00342  0.00475 -0.01462 -0.00856
 Orbital moments are: 
 -0.00296  0.00410  0.00171 -0.00237 -0.01464 -0.00854
 Orbital moments are: 
  0.00296 -0.00410  0.00171 -0.00237 -0.01464 -0.00854
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.201065    spin moment =    0.857734
Atom     2:          charge in WS-cell =     1.368159    spin moment =    0.042742
Atom     3:          charge in WS-cell =     1.367416    spin moment =    0.042731
Atom     4:          charge in WS-cell =     1.367416    spin moment =    0.042731
Atom     5:          charge in WS-cell =     1.033808    spin moment =    0.044060
Atom     6:          charge in WS-cell =     1.033656    spin moment =    0.044010
Atom     7:          charge in WS-cell =     1.033656    spin moment =    0.044010
Atom     8:          charge in WS-cell =     1.331082    spin moment =    0.041405
Atom     9:          charge in WS-cell =    49.628597    spin moment =    0.134711
Atom    10:          charge in WS-cell =    49.628132    spin moment =    0.134705
Atom    11:          charge in WS-cell =    49.628132    spin moment =    0.134705
Atom    12:          charge in WS-cell =     1.346079    spin moment =    0.049336
Atom    13:          charge in WS-cell =    50.608789    spin moment =    0.254026
Atom    14:          charge in WS-cell =    50.608914    spin moment =    0.253983
Atom    15:          charge in WS-cell =    50.608914    spin moment =    0.253983
Atom    16:          charge in WS-cell =    50.638681    spin moment =    0.227155
Atom    17:          charge in WS-cell =    50.638473    spin moment =    0.227095
Atom    18:          charge in WS-cell =    50.638473    spin moment =    0.227095
Atom    19:          charge in WS-cell =    50.638681    spin moment =    0.227155
Atom    20:          charge in WS-cell =    50.638780    spin moment =    0.227137
Atom    21:          charge in WS-cell =    50.638780    spin moment =    0.227137
Atom    22:          charge in WS-cell =    50.725370    spin moment =    0.232489
Atom    23:          charge in WS-cell =    50.725326    spin moment =    0.232501
Atom    24:          charge in WS-cell =    50.725326    spin moment =    0.232501
                    TOTAL mag. moment in unit cell =     4.435137
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  18 average rms-error : v+ + v- =  4.1504D-02
                                        v+ - v- =  3.3268D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.34943272
                                eV  : -3231123.74411166
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
  Iteration Number           19
  ###############################################
  ###    Starting energy loop
  ###############################################
0%************************************************************100%
  || Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.502077287362710E-010 -8.537065842262880E-006
  0.849189421369257     
 magnetic moment2 is   5.502056104932172E-010 -8.537065840897101E-006
 -6.229772041848691E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   5.017110858707152E-012 -4.005736628225695E-003
  4.137724581440083E-002
 magnetic moment2 is   5.017110858707152E-012 -4.005736628225695E-003
 -1.283795195613449E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.465445179279383E-003  2.005077295130253E-003
  4.136331897117240E-002
 magnetic moment2 is  -3.465445179279383E-003  2.005077295130253E-003
 -1.287167226854677E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.465445276267679E-003  2.005077174778733E-003
  4.136331836693508E-002
 magnetic moment2 is   3.465445276267679E-003  2.005077174778733E-003
 -1.287167316056845E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.234769602785542E-011  1.032896505323562E-003
  4.254777463689896E-002
 magnetic moment2 is  -3.234769602785542E-011  1.032896505323562E-003
 -1.852067808799104E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   9.050864284898508E-004 -5.264290860535057E-004
  4.249877964944682E-002
 magnetic moment2 is   9.050864284898508E-004 -5.264290860535057E-004
 -1.855703809587481E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -9.050861987934690E-004 -5.264288837352668E-004
  4.249878005852975E-002
 magnetic moment2 is  -9.050861987934690E-004 -5.264288837352668E-004
 -1.855703792989379E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.102311182622884E-011 -6.152092788698929E-007
  3.977554140291439E-002
 magnetic moment2 is  -3.102311182622884E-011 -6.152092788698929E-007
 -2.102241190265730E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -2.927715535283593E-011 -2.222389948442552E-003
  0.128285744863912     
 magnetic moment2 is  -2.929534869897110E-011 -2.227251121308164E-003
 -0.111927163483435     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.929825719430843E-003  1.109201777686291E-003
  0.128286704571992     
 magnetic moment2 is  -1.934035970705896E-003  1.111626812410517E-003
 -0.111930460765904     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.929826538111403E-003  1.109201972874577E-003
  0.128286703344703     
 magnetic moment2 is   1.934036789655958E-003  1.111627007447568E-003
 -0.111930462140570     
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   2.905250487338916E-012  8.891991732505407E-007
  4.757877038329539E-002
 magnetic moment2 is   2.905250487338916E-012  8.891991732505407E-007
 -1.303253775716884E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.354890390638303E-011  9.398336840202755E-004
  0.245300385898138     
 magnetic moment2 is   8.354817684040616E-011  9.416712440701578E-004
  1.478025308110081E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.153689176405880E-004 -4.719471149545996E-004
  0.245257273312996     
 magnetic moment2 is   8.169688198109691E-004 -4.728741764671071E-004
  1.474357493660011E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.153687972442722E-004 -4.719470943061469E-004
  0.245257272390999     
 magnetic moment2 is  -8.169686998153484E-004 -4.728741557763497E-004
  1.474357406406075E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   8.133886279754773E-005  1.373171167686788E-003
  0.219157278588475     
 magnetic moment2 is   8.119785731462281E-005  1.373408826884992E-003
 -8.661551463138628E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.232846962783192E-003 -6.110399222986285E-004
  0.219099042638357     
 magnetic moment2 is   1.232980492062204E-003 -6.112785760520453E-004
 -8.720686954432899E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.232846848489846E-003 -6.110398968794128E-004
  0.219099042900953     
 magnetic moment2 is  -1.232980377796054E-003 -6.112785506153323E-004
 -8.720686715191689E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -8.133844748040855E-005  1.373171240278044E-003
  0.219157276706828     
 magnetic moment2 is  -8.119744203669910E-005  1.373408899478939E-003
 -8.661553144702586E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   1.145122760200560E-003 -7.566505399773866E-004
  0.219136406936308     
 magnetic moment2 is   1.145396767675504E-003 -7.566468060128239E-004
 -8.683504191035404E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.145122522684161E-003 -7.566507382187123E-004
  0.219136409175811     
 magnetic moment2 is  -1.145396530172456E-003 -7.566470042547268E-004
 -8.683502177165611E-003
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -1.095557836344827E-010 -4.397630574544853E-004
  0.224076623712081     
 magnetic moment2 is  -1.096021038412675E-010 -4.400252675417529E-004
 -1.990558136858661E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is  -3.780217426898279E-004  2.212810542050850E-004
  0.224091188809036     
 magnetic moment2 is  -3.780238065475798E-004  2.212823251411027E-004
 -1.989025181652175E-002
 no rotation magnetic moment is fixed by config
 Rotation of the charge density
 The integrated charge density is:
 magnetic moment is   3.780217339814207E-004  2.212811265957719E-004
  0.224091191129272     
 magnetic moment2 is   3.780237978370564E-004  2.212823975321435E-004
 -1.989024970545880E-002
 no rotation magnetic moment is fixed by config
 Orbital moments are: 
 -0.00000 -0.00000 -0.00020 -0.00006  0.44244 -0.51142
 Orbital moments are: 
  0.00000 -0.00000  0.00317 -0.00312 -0.02360  0.01123
 Orbital moments are: 
  0.00274 -0.00269 -0.00158  0.00156 -0.02360  0.01123
 Orbital moments are: 
 -0.00274  0.00269 -0.00158  0.00156 -0.02360  0.01123
 Orbital moments are: 
  0.00000 -0.00000  0.00354 -0.00099 -0.00335  0.00317
 Orbital moments are: 
  0.00307 -0.00086 -0.00177  0.00050 -0.00335  0.00317
 Orbital moments are: 
 -0.00307  0.00086 -0.00177  0.00050 -0.00335  0.00317
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00141  0.00307
 Orbital moments are: 
  0.00000 -0.00000 -0.00771 -0.00406 -0.15129  0.00695
 Orbital moments are: 
 -0.00667 -0.00352  0.00385  0.00202 -0.15120  0.00696
 Orbital moments are: 
  0.00667  0.00352  0.00385  0.00202 -0.15120  0.00696
 Orbital moments are: 
 -0.00000  0.00000  0.00000  0.00000  0.00067  0.00315
 Orbital moments are: 
  0.00000  0.00000  0.00020  0.00201 -0.02304 -0.00141
 Orbital moments are: 
  0.00017  0.00174 -0.00010 -0.00100 -0.02304 -0.00141
 Orbital moments are: 
 -0.00017 -0.00174 -0.00010 -0.00100 -0.02304 -0.00141
 Orbital moments are: 
  0.00297 -0.00148 -0.00051 -0.00065 -0.01997 -0.00243
 Orbital moments are: 
  0.00104 -0.00130  0.00283 -0.00095 -0.01997 -0.00242
 Orbital moments are: 
 -0.00104  0.00130  0.00283 -0.00095 -0.01997 -0.00242
 Orbital moments are: 
 -0.00297  0.00148 -0.00051 -0.00065 -0.01997 -0.00243
 Orbital moments are: 
 -0.00193  0.00018 -0.00232  0.00160 -0.01996 -0.00242
 Orbital moments are: 
  0.00193 -0.00018 -0.00232  0.00160 -0.01996 -0.00242
 Orbital moments are: 
 -0.00000 -0.00000 -0.00343  0.00465 -0.01392 -0.00825
 Orbital moments are: 
 -0.00297  0.00401  0.00171 -0.00232 -0.01393 -0.00823
 Orbital moments are: 
  0.00297 -0.00401  0.00171 -0.00232 -0.01393 -0.00823
======================================================================================================================================================================================================================================================================================================================================================================================================= 
Atom     1:          charge in WS-cell =    76.180438    spin moment =    0.849189
Atom     2:          charge in WS-cell =     1.367843    spin moment =    0.041377
Atom     3:          charge in WS-cell =     1.367114    spin moment =    0.041363
Atom     4:          charge in WS-cell =     1.367114    spin moment =    0.041363
Atom     5:          charge in WS-cell =     1.035034    spin moment =    0.042548
Atom     6:          charge in WS-cell =     1.034877    spin moment =    0.042499
Atom     7:          charge in WS-cell =     1.034877    spin moment =    0.042499
Atom     8:          charge in WS-cell =     1.331903    spin moment =    0.039775
Atom     9:          charge in WS-cell =    49.631942    spin moment =    0.128286
Atom    10:          charge in WS-cell =    49.631499    spin moment =    0.128287
Atom    11:          charge in WS-cell =    49.631499    spin moment =    0.128287
Atom    12:          charge in WS-cell =     1.348041    spin moment =    0.047579
Atom    13:          charge in WS-cell =    50.612593    spin moment =    0.245300
Atom    14:          charge in WS-cell =    50.612728    spin moment =    0.245257
Atom    15:          charge in WS-cell =    50.612728    spin moment =    0.245257
Atom    16:          charge in WS-cell =    50.640676    spin moment =    0.219157
Atom    17:          charge in WS-cell =    50.640453    spin moment =    0.219099
Atom    18:          charge in WS-cell =    50.640453    spin moment =    0.219099
Atom    19:          charge in WS-cell =    50.640676    spin moment =    0.219157
Atom    20:          charge in WS-cell =    50.640763    spin moment =    0.219136
Atom    21:          charge in WS-cell =    50.640763    spin moment =    0.219136
Atom    22:          charge in WS-cell =    50.727249    spin moment =    0.224077
Atom    23:          charge in WS-cell =    50.727200    spin moment =    0.224091
Atom    24:          charge in WS-cell =    50.727200    spin moment =    0.224091
                    TOTAL mag. moment in unit cell =     4.295911
 TOTAL RMS-ERROR for LDA+U:  0.000000000000000E+000
-------------------------------------------------------------------------------

      ITERATION  19 average rms-error : v+ + v- =  3.9082D-02
                                        v+ - v- =  3.2058D-02

   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
               TOTAL ENERGY in ryd. :  -237481.40717266
                                eV  : -3231124.52970977
   ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
                 ++++++ SCF ITERATION CONVERGED ++++++
*******************************************************************************
 Deleting file kkrflex_greennew, processor           0
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||